Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5653983

COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)cc3F)c2cc1OC.Cl

nearest known ligand 0.78

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
FLT3 known ✓ P36888 16/20 0.78
PDGFRA known ✓ P16234 3/20 0.68
KDR known ✓ P35968 3/20 0.62
MET known ✓ P08581 3/20 0.62
ABL1 known ✓ P00519 1/20 0.62
LCK known ✓ P06239 1/20 0.62
RET known ✓ P07949 1/20 0.62
PDGFRB known ✓ P09619 1/20 0.62
KIT known ✓ P10721 1/20 0.62
BCR known ✓ P11274 1/20 0.62
FGFR1 known ✓ P11362 1/20 0.62
SRC known ✓ P12931 1/20 0.62
FLT1 known ✓ P17948 1/20 0.62
HTR2A known ✓ P28223 1/20 0.62
ADRA1A known ✓ P35348 1/20 0.62
FLT4 known ✓ P35916 1/20 0.62
SLC6A3 known ✓ Q01959 1/20 0.62
PDE4D known ✓ Q08499 1/20 0.62
PDE3A known ✓ Q14432 1/20 0.62
RIPK2 O43353 1/20 0.62

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
SCHEMBL6376965 0.99 FLT3 (0.79) FLT3PDGFRAKDRMETRIPK2
SCHEMBL2098431 0.90 FLT3 (0.67) FLT3PDGFRAKDRMETAXL
SCHEMBL2099171 0.89 FLT3 (0.65) FLT3PDGFRAKDRMETAXL
SCHEMBL5652690 0.88 FLT3 (0.76) FLT3PDGFRAKDRMETAXL
SCHEMBL20434905 0.88 FLT3 (1.00) FLT3
SCHEMBL698529 0.87 AXL (0.66) FLT3PDGFRAKDRMETABL1
Hydrochloric Acid SCHEMBL21174284 0.87 PDGFRA (0.74) FLT3PDGFRAKDRMETRIPK2
SCHEMBL6864449 0.86 PDGFRA (0.76) FLT3PDGFRAKDRMETRIPK2
SCHEMBL5653628 0.86 FLT3 (0.70) FLT3PDGFRAKDRMETAXL
SCHEMBL2614569 0.83 MET (0.59) FLT3PDGFRAKDRMETRIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1652847-A1 Quinoline and quinazoline derivatives for the treatment of tumors KIRIN BEER KABUSHIKI KAISHA (JP) 2006-05-03 EP claimed
US-7211587-B2 Quinoline derivatives and quinazoline derivatives having azolyl group KIRIN BEER KABUSHIKI KAISHA (KR) 2007-05-01 US disclosed
EP-1652847-A1 Quinoline and quinazoline derivatives for the treatment of tumors KIRIN BEER KABUSHIKI KAISHA (JP) 2006-05-03 EP disclosed
EP-1382604-B1 QUINOLINE DERIVATIVE HAVING AZOLYL GROUP AND QUINAZOLINE DERIVATIVE KIRIN BREWERY (JP) 2005-12-28 EP disclosed
US-6821987-B2 4-SUBSTITUTED BY AZOLYLUREIDO-PHENOXY, OR PHENYLTHIO; ANTITUMOR AGENTS; TREATING DIABETIC RETINOPATHY, CHRONIC RHEUMATISM, PSORIASIS, ATHEROSCLEROSIS, KIRIN BEER KABUSHIKI KAISHA (JP) 2004-11-23 US disclosed
US-20040229876-A1 Quinoline derivatives and quinazoline derivatives having azolyl group KIRIN BEER KABUSHIKI KAISHA (JP) 2004-11-18 US disclosed
EP-1382604-A1 QUINOLINE DERIVATIVE HAVING AZOLYL GROUP AND QUINAZOLINE DERIVATIVE KIRIN BEER KABUSHIKI KAISHA (JP) 2004-01-21 EP disclosed
US-20030087907-A1 Quinoline derivatives and quinazoline derivatives having azolyl group KIRIN BEER KABUSHIKI KAISHA (JP) 2003-05-08 US 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-20040229876-A1 Quinoline derivatives and quinazoline derivatives having azolyl group NQO2, H1-5, NRAS FLT3 83/4885PDGFRA 4104/4885KDR 3455/4885
US-20030087907-A1 Quinoline derivatives and quinazoline derivatives having azolyl group NQO2, H1-5, NRAS FLT3 83/4885PDGFRA 4104/4885KDR 3455/4885

“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.