Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6494832

C#Cc1cc2ncnc(Nc3ccc(Oc4cccc(OC)c4)cc3)c2s1.Cl

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

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)

geneUniProtsupporting neighboursconfidence
EGFR known ✓ P00533 9/20 0.47
FLT1 known ✓ P17948 2/20 0.43
KDR known ✓ P35968 2/20 0.43
LCK known ✓ P06239 1/20 0.43
PDGFRA known ✓ P16234 1/20 0.43
ACVR1 known ✓ Q04771 1/20 0.43
MAPK14 known ✓ Q16539 1/20 0.43
HDAC3 known ✓ O15379 2/20 0.43
HDAC1 known ✓ Q13547 2/20 0.43
HDAC6 known ✓ Q9UBN7 2/20 0.43
ERBB2 known ✓ P04626 2/20 0.43
ERBB4 known ✓ Q15303 1/20 0.43
TTBK1 Q5TCY1 1/20 0.53
TTBK2 Q6IQ55 1/20 0.53
RIPK2 O43353 1/20 0.47
EPHB2 P29323 1/20 0.47
MAPT P10636 1/20 0.46
GRM1 Q13255 1/20 0.46
NPC1 O15118 2/20 0.45
HTT P42858 2/20 0.45

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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6494333 0.86 TTBK1 (0.46) TTBK1TTBK2EGFRRIPK2EPHB2
SCHEMBL6495721 0.85 TTBK1 (0.47) TTBK1TTBK2EGFRRIPK2EPHB2
Hydrochloric Acid SCHEMBL6494965 0.80 FLT1 (0.44) TTBK1TTBK2EGFRRIPK2EPHB2
SCHEMBL6483720 0.76 ERBB2 (0.47) EGFRFLT1KDRDYRK3MAP4K4
SCHEMBL6494531 0.73 FLT1 (0.52) EGFRFLT1KDRAURKBCLK4
SCHEMBL5477726 0.72 TTBK1 (0.58) TTBK1TTBK2EGFRRIPK2EPHB2
SCHEMBL7126443 0.72 EGFR (0.77) EGFRMAPTGRM1NPC1HTT
SCHEMBL7119481 0.71 FLT1 (0.80) EGFRMAPTNPC1HTTRAB9A
SCHEMBL7116857 0.71 FLT1 (0.78) EGFRMAPTNPC1HTTRAB9A
SCHEMBL7119596 0.71 EGFR (0.65) EGFRRIPK2MAPTNPC1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2005-01-13 US claimed
EP-1463507-A1 THIENOPYRIMIDINE COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS SmithKline Beecham Corporation (US) 2004-10-06 EP claimed
WO-2003053446-A1 THIENOPYRIMIDINE COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-03 WO claimed
US-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2005-01-13 US disclosed
EP-1463507-A1 THIENOPYRIMIDINE COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS SmithKline Beecham Corporation (US) 2004-10-06 EP disclosed
WO-2003053446-A1 THIENOPYRIMIDINE COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-03 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 (1 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors ERBB2, ERBB4, ERBB3 EGFR 20/4885FLT1 561/4885KDR 485/4885

“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.