Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1468245

COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCOCCN1CCOCC1.Cl

nearest known ligand 0.83

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 14/20 0.83
FGFR1 known ✓ P11362 13/20 0.83
FLT1 known ✓ P17948 13/20 0.83
EGFR known ✓ P00533 15/20 0.75
FLT4 known ✓ P35916 10/20 0.75
SRC known ✓ P12931 2/20 0.65
PDGFRB known ✓ P09619 3/20 0.64
RET known ✓ P07949 2/20 0.64
FGFR3 known ✓ P22607 2/20 0.62
ROCK2 known ✓ O75116 1/20 0.62
ABL1 known ✓ P00519 1/20 0.62
ERBB2 known ✓ P04626 1/20 0.62
LCK known ✓ P06239 1/20 0.62
CSF1R known ✓ P07333 1/20 0.62
CHRM2 known ✓ P08172 1/20 0.62
MET known ✓ P08581 1/20 0.62
ADRA2A known ✓ P08913 1/20 0.62
KIT known ✓ P10721 1/20 0.62
CHRM1 known ✓ P11229 1/20 0.62
BCR known ✓ P11274 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
Hydrochloric Acid SCHEMBL7870588 0.95 EGFR (0.81) KDRFGFR1FLT1EGFRFLT4
Hydrochloric Acid SCHEMBL7866060 0.94 KDR (0.84) KDRFGFR1FLT1EGFRFLT4
SCHEMBL7859476 0.94 KDR (0.83) KDRFGFR1FLT1EGFRFLT4
SCHEMBL7867160 0.94 KDR (0.83) KDRFGFR1FLT1EGFRFLT4
Hydrochloric Acid SCHEMBL1468298 0.91 KDR (0.98) KDRFGFR1FLT1EGFRFLT4
SCHEMBL1467878 0.91 KDR (1.00) KDRFGFR1FLT1EGFRFLT4
Hydrochloric Acid SCHEMBL4987423 0.90 EGFR (0.73) KDRFGFR1FLT1EGFRFLT4
SCHEMBL4986871 0.89 KDR (0.74) KDRFGFR1FLT1EGFRFLT4
Hydrochloric Acid SCHEMBL7866132 0.87 EGFR (0.92) KDRFGFR1FLT1EGFRFLT4
SCHEMBL17520347 0.87 KDR (0.82) KDRFGFR1FLT1EGFRFLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071144-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 2011-03-24 US disclosed
US-20050239777-A1 Quinazoline derivatives and pharmaceutical compositions containing them ZENECA PHARMA S.A. (FR) 2005-10-27 US disclosed
US-6897210-B2 Quinazoline derivatives and pharmaceutical compositions containing them ZENECA LIMITED (GB) 2005-05-24 US disclosed
US-20040242574-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED 2004-12-02 US disclosed
US-6673803-B2 FOR TREATMENT OF A NUMBER OF DISEASE STATES INCLUDING CANCER AND RHEUMATOID ARTHRITIS; ACTIVITY AGAINST EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE ZENECA LIMITED (GB) 2004-01-06 US disclosed
US-20020173646-A1 Quinazoline derivatives and pharmaceutical compositions containing them ZENECA LIMITED 2002-11-21 US disclosed
EP-0929530-B1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2002-11-20 EP disclosed
EP-0929530-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1999-07-21 EP disclosed
WO-1998013354-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1998-04-02 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040242574-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CNKSR1, FLT1, NR5A1 KDR 6/4885FGFR1 177/4885FLT1 2/4885
US-20020173646-A1 Quinazoline derivatives and pharmaceutical compositions containing them CNKSR1, FLT1, VEGFA KDR 4/4885FGFR1 195/4885FLT1 2/4885
US-20110071144-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NR5A1, NR5A2, CNKSR1 KDR 13/4885FGFR1 146/4885FLT1 8/4885
US-20050239777-A1 Quinazoline derivatives and pharmaceutical compositions containing them NR5A1, NR5A2, CNKSR1 KDR 13/4885FGFR1 146/4885FLT1 8/4885

“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.