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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 5/20 | 0.53 |
| ▸ | FGFR3 known ✓ | P22607 | 1/20 | 0.53 |
| ▸ | KDR known ✓ | P35968 | 3/20 | 0.52 |
| ▸ | ABL1 known ✓ | P00519 | 2/20 | 0.51 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.51 |
| ▸ | KIT known ✓ | P10721 | 1/20 | 0.51 |
| ▸ | FGFR1 known ✓ | P11362 | 1/20 | 0.51 |
| ▸ | SRC known ✓ | P12931 | 1/20 | 0.51 |
| ▸ | LCK known ✓ | P06239 | 1/20 | 0.51 |
| ▸ | BCR known ✓ | P11274 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 9/20 | 0.58 |
| ▸ | BRAF | P15056 | 2/20 | 0.52 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.51 |
| ▸ | TEK | Q02763 | 1/20 | 0.51 |
| ▸ | JAK3 | P52333 | 1/20 | 0.51 |
| ▸ | BTK | Q06187 | 1/20 | 0.51 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL374463 | 0.99 | EPHX2 (0.59) | EPHX2EGFRFGFR3KDRBRAF | |
| SCHEMBL374477 | 0.95 | FGFR3 (0.54) | EPHX2EGFRFGFR3KDRBRAF | |
| SCHEMBL374534 | 0.90 | EPHX2 (0.67) | EPHX2EGFRKDRBRAFABL1 | |
| SCHEMBL374671 | 0.89 | EPHX2 (0.59) | EPHX2EGFRKDRBRAFABL1 | |
| SCHEMBL374879 | 0.85 | EGFR (0.64) | EPHX2EGFRFGFR3KDRBRAF | |
| SCHEMBL374510 | 0.85 | EPHX2 (0.52) | EPHX2EGFRFGFR3KDRBRAF | |
| SCHEMBL15127726 | 0.82 | EGFR (0.57) | EPHX2EGFRFGFR3KDRBRAF | |
| SCHEMBL374427 | 0.79 | FGFR3 (0.69) | EPHX2EGFRFGFR3KDRBRAF | |
| SCHEMBL374215 | 0.78 | FGFR1 (0.74) | EGFRFGFR3KDRBRAFABL1 | |
| SCHEMBL2010223 | 0.78 | FGFR3 (0.65) | EPHX2EGFRFGFR3KDRBRAF |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8552002-B2 | 3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-[6-(2,6-dimethyl-pyridin-3-ylamino)-pyrimidin-4-yl]-1-methyl-urea; 3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-methyl-1-{6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-urea | NOVARTIS AG (CH) | 2013-10-08 | — | — | US | claimed |
| US-20130012476-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2013-01-10 | — | — | US | claimed |
| EP-1761505-B1 | PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS | NOVARTIS AG (CH) | 2011-08-17 | — | — | EP | claimed |
| EP-2418205-B1 | Pyrimidine urea derivatives as kinase inhibitors | NOVARTIS AG (CH) | 2014-01-22 | — | — | EP | disclosed |
| US-8552002-B2 | 3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-[6-(2,6-dimethyl-pyridin-3-ylamino)-pyrimidin-4-yl]-1-methyl-urea; 3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-methyl-1-{6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-urea | NOVARTIS AG (CH) | 2013-10-08 | — | — | US | disclosed |
| EP-2409969-B1 | Pyrimidine urea derivatives as kinase inhibitors | NOVARTIS AG (CH) | 2013-07-24 | — | — | EP | disclosed |
| US-20130012476-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2013-01-10 | — | — | US | disclosed |
| US-20130012704-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | DING QIANG (CN) | 2013-01-10 | — | — | US | disclosed |
| EP-2418205-A1 | Pyrimidine urea derivatives as kinase inhibitors | Novartis AG (CH) | 2012-02-15 | — | — | EP | disclosed |
| EP-1761505-B1 | PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS | NOVARTIS AG (CH) | 2011-08-17 | — | — | EP | disclosed |
| US-20090137804-A1 | Compounds and Compositions as Protein Kinase Inhibitors | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2009-05-28 | — | — | US | disclosed |
| EP-1761505-A1 | PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS | Novartis AG (CH) | 2007-03-14 | — | — | EP | disclosed |
| WO-2006000420-A1 | PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS | NOVARTIS AG (CH) | 2006-01-05 | — | — | 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 (3 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-20130012476-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | MAP3K20, MAP3K1, CDK1 | EGFR 397/4885FGFR3 1045/4885KDR 1637/4885 |
| US-20130012704-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | MAP3K20, MAP3K1, CDK1 | EGFR 397/4885FGFR3 1045/4885KDR 1637/4885 |
| US-20090137804-A1 | Compounds and Compositions as Protein Kinase Inhibitors | MAP3K20, MAP3K1, CDK1 | EGFR 397/4885FGFR3 1045/4885KDR 1637/4885 |
“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.