Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4085852

C#Cc1cccc(Nc2ncnc3cc(OC4CCNCC4)c(OC)cc23)c1.Cl

nearest known ligand 0.74

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 16/20 0.74
ERBB2 known ✓ P04626 6/20 0.61
KDR known ✓ P35968 4/20 0.60
RET known ✓ P07949 3/20 0.60
ABL1 known ✓ P00519 2/20 0.60
LCK known ✓ P06239 2/20 0.60
SRC known ✓ P12931 2/20 0.60
FLT3 known ✓ P36888 2/20 0.60
JAK2 known ✓ O60674 1/20 0.60
CHRM2 known ✓ P08172 1/20 0.60
MET known ✓ P08581 1/20 0.60
PDGFRB known ✓ P09619 1/20 0.60
KIT known ✓ P10721 1/20 0.60
CHRM1 known ✓ P11229 1/20 0.60
BCR known ✓ P11274 1/20 0.60
PDGFRA known ✓ P16234 1/20 0.60
FLT1 known ✓ P17948 1/20 0.60
PTGS1 known ✓ P23219 1/20 0.60
OPRM1 known ✓ P35372 1/20 0.60
FLT4 known ✓ P35916 1/20 0.60

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 SCHEMBL1446303 1.00 EGFR (0.74) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL29623603 0.99 EGFR (0.75) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL185543 0.99 EGFR (0.75) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL14489978 0.90 FBP1 (0.76) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL14489979 0.90 EGFR (0.77) EGFRGAKFBP1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1446219 0.89 EGFR (0.72) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL14489992 0.89 EGFR (0.75) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL14489989 0.89 EGFR (0.75) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL209715 0.89 EGFR (0.75) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL14489986 0.88 EGFR (0.74) EGFRGAKFBP1ALDH1A1MAPT

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-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS HENNEQUIN LAURENT FRANCOIS AND 2009-12-17 US disclosed
US-7569577-B2 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-08-04 US disclosed
EP-1667991-B1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-14 EP disclosed
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-22 US disclosed
EP-1667991-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2006-06-14 EP disclosed
WO-2005026150-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2005-03-24 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 (2 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-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ERBB2, ABL1, EGFR EGFR 3/4885ERBB2 1/4885KDR 225/4885
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ERBB2, ABL1, EGFR EGFR 3/4885ERBB2 1/4885KDR 180/4885

“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.