Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1345950

Cl.O=C(O)Cc1cc(Nc2ncnc3cc(OCCCCl)ccc23)n[nH]1

nearest known ligand 0.54

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 2/20 0.52
LCK known ✓ P06239 2/20 0.52
RET known ✓ P07949 2/20 0.52
PDGFRB known ✓ P09619 2/20 0.52
KIT known ✓ P10721 2/20 0.52
PDGFRA known ✓ P16234 2/20 0.52
KDR known ✓ P35968 2/20 0.52
FLT3 known ✓ P36888 2/20 0.52
ABL1 known ✓ P00519 1/20 0.52
ERBB2 known ✓ P04626 1/20 0.52
CSF1R known ✓ P07333 1/20 0.52
MET known ✓ P08581 1/20 0.52
FLT1 known ✓ P17948 1/20 0.52
FLT4 known ✓ P35916 1/20 0.52
ERBB4 known ✓ Q15303 1/20 0.52
FGFR2 P21802 3/20 0.54
AURKA O14965 16/20 0.52
AURKB Q96GD4 13/20 0.52
RIPK2 O43353 2/20 0.52
LYN P07948 2/20 0.52

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
SCHEMBL1343718 0.99 FGFR2 (0.54) FGFR2AURKAAURKBRIPK2EGFR
SCHEMBL3489095 0.96 FGFR2 (0.54) FGFR2AURKAAURKBRIPK2EGFR
SCHEMBL27985515 0.86 AURKA (0.56) FGFR2AURKAAURKBRIPK2EGFR
SCHEMBL3490226 0.85 KDR (0.52) FGFR2AURKAAURKBRIPK2EGFR
SCHEMBL17687976 0.83 AURKA (0.74) FGFR2AURKAAURKBRIPK2EGFR
SCHEMBL1345634 0.82 AURKA (0.77) FGFR2AURKAAURKBRIPK2EGFR
Hydrochloric Acid SCHEMBL27741270 0.82 FGFR2 (0.49) FGFR2AURKAAURKBRIPK2EGFR
SCHEMBL30468747 0.81 AURKA (0.77) FGFR2AURKAAURKBRIPK2EGFR
SCHEMBL3490355 0.81 AURKA (0.77) FGFR2AURKAAURKBRIPK2EGFR
SCHEMBL4286470 0.81 AURKA (0.57) AURKAAURKBKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2019832-B1 PROCESS FOR THE PREPARATION OF PYRAZOLYLAMINOQUINAZOLINE DERIVATIVES COMPRISING A PHOSPHATE GROUP ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-8063210-B2 Process and intermediate ASTRAZENECA AB (SE) 2011-11-22 US disclosed
US-7625910-B2 Co-crystal ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-20090253616-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-10-08 US disclosed
EP-2027114-A1 MALEATE CO-CRYSTAL OF AZD1152 AstraZeneca AB (SE) 2009-02-25 EP disclosed
EP-2026808-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER AstraZeneca AB (SE) 2009-02-25 EP disclosed
US-20080045481-A1 NOVEL CO-CRYSTAL ASTRAZENECA AB (SE) 2008-02-21 US disclosed
WO-2007132215-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-11-22 WO disclosed
WO-2007132227-A1 MALEATE CO-CRYSTAL OF AZD1152 ASTRAZENECA AB (SE) 2007-11-22 WO disclosed
US-20070270384-A1 PROCESS AND INTERMEDIATE ASTRAZENECA AB (SE) 2007-11-22 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 (3 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-20070270384-A1 PROCESS AND INTERMEDIATE PIK3CG, PIK3CA, PIK3CB EGFR 737/4885LCK 982/4885RET 1702/4885
US-20080045481-A1 NOVEL CO-CRYSTAL AURKA, AURKC, BUB1 EGFR 524/4885LCK 252/4885RET 582/4885
US-20090253616-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER AURKC, AURKB, AURKA EGFR 274/4885LCK 1065/4885RET 606/4885

“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.