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 | |
|---|---|---|---|---|
| ▸ | PIK3CA known ✓ | P42336 | 2/20 | 0.52 |
| ▸ | JAK2 known ✓ | O60674 | 2/20 | 0.51 |
| ▸ | PRKCZ known ✓ | Q05513 | 1/20 | 0.49 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.48 |
| ▸ | JAK1 known ✓ | P23458 | 1/20 | 0.48 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.48 |
| ▸ | IKBKB | O14920 | 10/20 | 0.53 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.52 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.52 |
| ▸ | CHUK | O15111 | 8/20 | 0.50 |
| ▸ | IKBKG | Q9Y6K9 | 6/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | MAPK8 | P45983 | 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 | |
|---|---|---|---|---|
| SCHEMBL4396304 | 0.99 | IKBKB (0.53) | IKBKBPIK3CAPIK3CBPIK3CGJAK2 | |
| SCHEMBL8254568 | 0.90 | JAK2 (0.55) | IKBKBPIK3CAPIK3CBPIK3CGJAK2 | |
| SCHEMBL11924743 | 0.89 | GRM5 (0.60) | IKBKBPIK3CAPIK3CBPIK3CGJAK2 | |
| SCHEMBL8312581 | 0.88 | CDK1 (0.58) | IKBKBPIK3CAPIK3CBPIK3CGJAK2 | |
| SCHEMBL14021219 | 0.88 | PIK3CA (0.58) | IKBKBPIK3CAPIK3CBPIK3CGJAK2 | |
| SCHEMBL5070960 | 0.87 | IKBKB (0.64) | IKBKBPIK3CAPIK3CBPIK3CGJAK2 | |
| Hydrochloric Acid SCHEMBL4071661 | 0.87 | CDK1 (0.53) | IKBKBPIK3CAPIK3CBPIK3CGJAK2 | |
| SCHEMBL14021190 | 0.87 | MTOR (0.60) | IKBKBPIK3CAPIK3CBPIK3CGJAK2 | |
| SCHEMBL11924733 | 0.87 | MTOR (0.60) | IKBKBPIK3CAPIK3CBPIK3CGJAK2 | |
| SCHEMBL8247959 | 0.87 | IKBKB (0.63) | IKBKBPIK3CAPIK3CGJAK2CHUK |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1349841-B1 | ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO | SIGNAL PHARM LLC (US) | 2009-12-02 | — | — | EP | disclosed |
| EP-1349840-B1 | ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO | SIGNAL PHARM LLC (US) | 2009-03-11 | — | — | EP | disclosed |
| US-7442699-B2 | Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-10-28 | — | — | US | disclosed |
| US-7429599-B2 | Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-09-30 | — | — | US | disclosed |
| US-7129242-B2 | Anilinopyrimidine derivatives as JNK pathway inhibitors and compositions and methods related thereto | SIGNAL PHARMACEUTICALS, LLC (US) | 2006-10-31 | — | — | US | disclosed |
| US-7122544-B2 | Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto | SIGNAL PHARMACEUTICALS, LLC (US) | 2006-10-17 | — | — | US | disclosed |
| US-20060030576-A1 | Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto | SIGNAL PHARMACEUTICALS, LLC | 2006-02-09 | — | — | US | disclosed |
| EP-1608375-A1 | METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK | Signal Pharmaceuticals LLC (US) | 2005-12-28 | — | — | EP | disclosed |
| WO-2004084901-A1 | METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK | SIGNAL PHARMACEUTICALS, LLC (US) | 2004-10-07 | — | — | WO | disclosed |
| US-20040106634-A1 | Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK | SIGNAL PHARMACEUTICALS, LLC | 2004-06-03 | — | — | US | disclosed |
| US-20030220330-A1 | Anilinopyrimidine derivatives as JNK pathway inhibitors and compositions and methods related thereto | SIGNAL PHARMACEUTICALS, LLC | 2003-11-27 | — | — | US | disclosed |
| US-20030203926-A1 | Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto | SIGNAL PHARMACEUTICALS, LLC | 2003-10-30 | — | — | US | disclosed |
| EP-1349840-A2 | ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO | SIGNAL PHARMACEUTICALS, INC. (US) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002046170-A2 | ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO | SIGNAL PHARMACEUTICALS, INC. (US) | 2002-06-13 | — | — | 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 (4 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-20040106634-A1 | Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK | MAPK6, MAPKAPK2, DUSP6 | PIK3CA 2501/4885JAK2 139/4885PRKCZ 284/4885 |
| US-20030203926-A1 | Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto | NFKBIA, IKBKB, IKBKE | PIK3CA 21/4885JAK2 164/4885PRKCZ 185/4885 |
| US-20030220330-A1 | Anilinopyrimidine derivatives as JNK pathway inhibitors and compositions and methods related thereto | MAPK6, MAP3K6, MAPK1 | PIK3CA 145/4885JAK2 136/4885PRKCZ 205/4885 |
| US-20060030576-A1 | Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto | NFKBIA, IKBKB, IKBKE | PIK3CA 26/4885JAK2 107/4885PRKCZ 226/4885 |
“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.