Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.45 |
| ▸ | KDR known ✓ | P35968 | 3/20 | 0.45 |
| ▸ | SCN10A known ✓ | Q9Y5Y9 | 1/20 | 0.44 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.44 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 5/20 | 0.52 |
| ▸ | NPC1 | O15118 | 4/20 | 0.52 |
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.49 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.49 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.49 |
| ▸ | GRM5 | P41594 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | RAF1 | P04049 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | BRAF | P15056 | 2/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL177518 | 0.98 | KDM4C (0.62) | KDM4CALDH1A1MAPTL3MBTL1RAB9A | |
| SCHEMBL30155195 | 0.98 | KDM4C (0.62) | KDM4CALDH1A1MAPTL3MBTL1RAB9A | |
| SCHEMBL14480939 | 0.86 | KDM4C (0.57) | KDM4CALDH1A1MAPTL3MBTL1RAB9A | |
| Tetrahydrofuran SCHEMBL28241044 | 0.86 | KDM4C (0.51) | KDM4CALDH1A1MAPTL3MBTL1RAB9A | |
| SCHEMBL28426040 | 0.83 | ALDH1A1 (0.51) | KDM4CALDH1A1MAPTL3MBTL1RAB9A | |
| SCHEMBL18135104 | 0.81 | GAA (0.56) | KDM4CRAB9AGRM5GAAMEN1 | |
| SCHEMBL6386120 | 0.81 | KDM4C (0.52) | KDM4CALDH1A1MAPTL3MBTL1RAB9A | |
| SCHEMBL1054692 | 0.80 | KDM4C (0.58) | KDM4CALDH1A1MAPTL3MBTL1RAB9A | |
| SCHEMBL163711 | 0.79 | KDR (0.48) | KDM4CALDH1A1MAPTRAB9ANPC1 | |
| SCHEMBL2378723 | 0.79 | ANO1 (0.59) | KDM4CRAB9ANPC1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111718294-A | Crystal form of medicine for treating intestinal cancer | 北京康立生医药技术开发有限公司 | 2020-09-29 | — | — | CN | claimed |
| US-10822305-B2 | Process for the preparation of 4-(4-amino-3-fluorophenoxy)-N-methylpyyridine-2-carboxamide | BAYER HEALTHCARE LLC (US) | 2020-11-03 | — | — | US | disclosed |
| CN-111718294-A | Crystal form of medicine for treating intestinal cancer | 北京康立生医药技术开发有限公司 | 2020-09-29 | — | — | CN | disclosed |
| CN-110294706-A | Anti-tumor drug and its preparation method and purposes | 李斌 | 2019-10-01 | — | — | CN | disclosed |
| US-20190144391-A1 | Process for the Preparation of 4-(4-amino-3-fluorophenoxy)-N-methylpyyridine-2-carboxamide | BAYER HEALTHCARE LLC (US) | 2019-05-16 | — | — | US | disclosed |
| US-20170334857-A1 | Method of Purifying and using 4-chloro-n-methy1-2-pyridinecarboxamide | BAYER HEALTHCARE LLC (US) | 2017-11-23 | — | — | US | disclosed |
| US-20170057918-A1 | PROCESS FOR THE PREPARATION OF 4-CARBONYL)AMINO]-3-FLUOROPHENOXY}-N-ETHYLPYRIDINE-2-CARBOXAMIDE, ITS SALTS AND MONOHYDRATE | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2017-03-02 | — | — | US | disclosed |
| CN-102947271-B | Process for the preparation of 4- {4- [ ({ [ 4-chloro-3- (trifluoromethyl) phenyl ] amino } carbonyl) amino ] -3-fluorophenoxy } -N-methylpyridine-2-carboxamide, salts and monohydrate thereof | 拜尔健康护理有限责任公司 | 2016-11-09 | — | — | CN | disclosed |
| US-9458107-B2 | Process for the preparation of 4-{4-[({[4 chloro-3-(trifluoromethyl)-phenyl]amino}carbonyl)amino]-3-fluorphenoxy-N-ethylpyridie-carboxamide, its salts and monohydrate | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-10-04 | — | — | US | disclosed |
| CN-104910067-A | Method for synthesizing regorafenib by one-pot process | NANJING UNIVERSITY OF TECHNOLOGY | 2015-09-16 | — | — | CN | disclosed |
| US-20140221661-A1 | PROCESS FOR THE PREPARATION OF 4-CARBONYL)AMINO]-3-FLUOROPHENOXY}-N-ETHYLPYRIDINE-2-CARBOXAMIDE, ITS SALTS AND MONOHYDRATE | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-08-07 | — | — | US | disclosed |
| US-8748622-B2 | Process for the preparation of 4-{4[({[4-chloro-3-(trifluoromethyl)-phenyl]amino}carbonyl)amino]-3-fluorophenoxy}-N-methylpyridine-2-carboxamide, its salts and monohydrate | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-06-10 | — | — | US | disclosed |
| US-20130116442-A1 | PROCESS FOR THE PREPARATION OF 4-CARBONYL)AMINO]-3-FLUOROPHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, ITS SALTS AND MONOHYDRATE | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-05-09 | — | — | US | disclosed |
| CN-102947271-A | Process for the preparation of 4- {4- [ ({ [ 4-chloro-3- (trifluoromethyl) phenyl ] amino } carbonyl) amino ] -3-fluorophenoxy } -N-methylpyridine-2-carboxamide, salts and monohydrate thereof | Bayer Pharma AG | 2013-02-27 | — | — | CN | disclosed |
| EP-2558448-A1 | PROCESS FOR THE PREPARATION OF 4- {4-[({[4 -CHLORO-3 -(TRIFLUOROMETHYL)-PHENYL]AMINO}CARBONYL)AMINO]-3-FLUOROPHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, ITS SALTS AND MONOHYDRATE | Bayer HealthCare LLC (US) | 2013-02-20 | — | — | EP | disclosed |
| US-8124782-B2 | Reacting aminophenoxy-N-methylpyridine-2-carboxamide with 4-chloro-3-trifluoromethylphenyl isocyanate in solvent; mixing; controlling temperature; mixing with p-toluenesulfonic acid; refluxing | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-02-28 | — | — | US | disclosed |
| WO-2011128261-A1 | PROCESS FOR THE PREPARATION OF 4- {4-[({[4 -CHLORO-3 -(TRIFLUOROMETHYL)-PHENYL]AMINO}CARBONYL)AMINO]-3-FLUOROPHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, ITS SALTS AND MONOHYDRATE | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2011-10-20 | — | — | WO | disclosed |
| US-20080262236-A1 | Process for the Preparation of 4-Carbonyl)Amino]Phenoxy}-N-Methylpyridine-2-Carboxamide | BAYER HEALTHCARE AG (DE) | 2008-10-23 | — | — | US | disclosed |
| EP-1797037-A1 | PROCESS FOR THE PREPARATION OF 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENYOXY}N-METHYLPYRIDINE-2-CARBOXAMIDE | Bayer HealthCare AG (DE) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006034796-A1 | PROCESS FOR THE PREPARATION OF 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE | BAYER HEALTHCARE AG (DE) | 2006-04-06 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20190144391-A1 | Process for the Preparation of 4-(4-amino-3-fluorophenoxy)-N-methylpyyridine-2-carboxamide | DNPEP, NPEPPS, TET3 | GAA 1659/4885KDR 2897/4885SCN10A 1749/4885 |
| US-20170334857-A1 | Method of Purifying and using 4-chloro-n-methy1-2-pyridinecarboxamide | TET2, NPEPPS, METAP1 | GAA 3835/4885KDR 3758/4885SCN10A 1825/4885 |
| US-20080262236-A1 | Process for the Preparation of 4-Carbonyl)Amino]Phenoxy}-N-Methylpyridine-2-Carboxamide | PNMT, TET2, TET3 | GAA 2330/4885KDR 1119/4885SCN10A 820/4885 |
| US-20140221661-A1 | PROCESS FOR THE PREPARATION OF 4-CARBONYL)AMINO]-3-FLUOROPHENOXY}-N-ETHYLPYRIDINE-2-CARBOXAMIDE, ITS SALTS AND MONOHYDRATE | ACMSD, DNPEP, CPS1 | GAA 2544/4885KDR 2111/4885SCN10A 1224/4885 |
| US-20170057918-A1 | PROCESS FOR THE PREPARATION OF 4-CARBONYL)AMINO]-3-FLUOROPHENOXY}-N-ETHYLPYRIDINE-2-CARBOXAMIDE, ITS SALTS AND MONOHYDRATE | ACMSD, DNPEP, CPS1 | GAA 2574/4885KDR 2052/4885SCN10A 1192/4885 |
| US-20130116442-A1 | PROCESS FOR THE PREPARATION OF 4-CARBONYL)AMINO]-3-FLUOROPHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, ITS SALTS AND MONOHYDRATE | ACMSD, DNPEP, CPS1 | GAA 2870/4885KDR 2454/4885SCN10A 1172/4885 |
| US-10822305-B2 | Process for the preparation of 4-(4-amino-3-fluorophenoxy)-N-methylpyyridine-2-carboxamide | DNPEP, NPEPPS, TET3 | GAA 1654/4885KDR 2813/4885SCN10A 1725/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.