Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6454560

COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OC(C)C1CCNCC1.Cl

nearest known ligand 0.71

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
KDR known ✓ P35968 17/20 0.71
EGFR known ✓ P00533 14/20 0.71
FLT1 known ✓ P17948 14/20 0.71
FGFR1 known ✓ P11362 13/20 0.71
FLT4 known ✓ P35916 12/20 0.71
RET known ✓ P07949 2/20 0.69
PDGFRB known ✓ P09619 2/20 0.61
ROCK2 known ✓ O75116 1/20 0.60
ABL1 known ✓ P00519 1/20 0.60
ERBB2 known ✓ P04626 1/20 0.60
LCK known ✓ P06239 1/20 0.60
CSF1R known ✓ P07333 1/20 0.60
CHRM2 known ✓ P08172 1/20 0.60
MET known ✓ P08581 1/20 0.60
ADRA2A known ✓ P08913 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
SRC known ✓ P12931 1/20 0.60
PDGFRA known ✓ P16234 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
SCHEMBL1008026 0.99 KDR (0.72) KDREGFRFLT1FGFR1FLT4
Water SCHEMBL27735443 0.98 KDR (0.71) KDREGFRFLT1FGFR1FLT4
Trifluoroacetic Acid SCHEMBL6902285 0.92 KDR (0.65) KDREGFRFLT1FGFR1FLT4
Hydrochloric Acid SCHEMBL7477739 0.91 FLT1 (0.75) KDREGFRFLT1FGFR1FLT4
SCHEMBL2200924 0.90 KDR (0.74) KDREGFRFLT1FGFR1FLT4
SCHEMBL2203010 0.90 FLT1 (0.73) KDREGFRFLT1FGFR1FLT4
SCHEMBL2200083 0.89 EGFR (0.73) KDREGFRFLT1FGFR1FLT4
SCHEMBL5506368 0.85 EGFR (0.56) KDREGFRFLT1FGFR1FLT4
SCHEMBL4604150 0.84 KDR (0.64) KDREGFRFLT1FGFR1FLT4
SCHEMBL1612820 0.84 KDR (0.84) KDREGFRFLT1FGFR1FLT4

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
US-10457664-B2 Quinazoline derivatives as VEGF inhibitors GENZYME CORPORATION (US) 2019-10-29 US disclosed
US-20190002433-A1 Quinazoline Derivatives as VEGF Inhibitors GENZYME CORPORATION (US) 2019-01-03 US disclosed
EP-1592423-A2 COMBINATION THERAPY OF ZD6474 WITH 5-FU AND/OR CPT-11 Astrazeneca AB (SE) 2005-11-09 EP disclosed
WO-2004071397-A2 COMBINATION THERAPY OF ZD6474 WITH 5-FU OR/AND CPT-11 ASTRAZENECA AB (SE) 2004-08-26 WO disclosed
EP-1446124-A1 COMBINATION THERAPY COMPRISING ZD6474 AND A TAXANE AstraZeneca AB (SE) 2004-08-18 EP disclosed
WO-2003039551-A1 COMBINATION THERAPY COMPRISING ZD6474 AND A TAXANE ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
EP-1244647-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS AstraZeneca AB (SE) 2002-10-02 EP disclosed
WO-2001032651-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ASTRAZENECA AB (SE) 2001-05-10 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-10457664-B2 Quinazoline derivatives as VEGF inhibitors FLT1, FLT4, KDR KDR 3/4885EGFR 179/4885FLT1 1/4885
US-20190002433-A1 Quinazoline Derivatives as VEGF Inhibitors FLT1, FLT4, KDR KDR 3/4885EGFR 179/4885FLT1 1/4885

“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.