Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5478012

COc1cc2ncnc(Nc3ccc([N+](=O)[O-])cc3)c2cc1OC.Cl

nearest known ligand 0.98

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 19)

geneUniProtsupporting neighboursconfidence
EGFR known ✓ P00533 15/20 0.70
LCK known ✓ P06239 5/20 0.70
KDR known ✓ P35968 6/20 0.67
RET known ✓ P07949 2/20 0.66
FLT1 known ✓ P17948 1/20 0.66
FLT3 known ✓ P36888 1/20 0.66
ALK known ✓ Q9UM73 1/20 0.66
ABCG2 Q9UNQ0 4/20 0.98
RIPK2 O43353 2/20 0.66
GAK O14976 1/20 0.66
STK10 O94804 1/20 0.66
JAK3 P52333 1/20 0.66
AAK1 Q2M2I8 1/20 0.66
Q6ZSR9 Q6ZSR9 1/20 0.66
SLK Q9H2G2 1/20 0.66
IRAK4 Q9NWZ3 1/20 0.66
RPS6KA6 Q9UK32 1/20 0.66
CLK1 P49759 1/20 0.65
EPHB2 P29323 1/20 0.61

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
SCHEMBL5473767 0.99 ABCG2 (1.00) ABCG2EGFRLCKKDRRET
SCHEMBL28637305 0.90 ABCG2 (0.82) ABCG2EGFRLCKKDRRET
Hydrochloric Acid SCHEMBL5468096 0.87 ABCG2 (0.98) ABCG2EGFRLCKKDRRET
SCHEMBL2099212 0.86 ABCG2 (1.00) ABCG2EGFRLCKKDRRET
Hydrochloric Acid SCHEMBL6786294 0.84 ABCG2 (0.71) ABCG2EGFRLCKKDRRET
Hydrochloric Acid SCHEMBL6786752 0.84 ABCG2 (0.71) ABCG2EGFRLCKKDRRET
SCHEMBL5653661 0.84 ABCG2 (0.73) ABCG2EGFRLCKKDRRET
Hydrochloric Acid SCHEMBL6786126 0.83 ABCG2 (0.69) ABCG2EGFRLCKKDRRET
Hydrochloric Acid SCHEMBL6786710 0.83 ABCG2 (0.69) ABCG2EGFRLCKKDRRET
SCHEMBL27748217 0.83 ABCG2 (0.72) ABCG2EGFRKDRRETRIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513267-B2 4-anilinoquinazoline derivatives with adenosine-kinase inhibitor properties UNIVERSIDADE ESTADUAL DE CAMPINAS-UNICAMP (BR) 2013-08-20 US disclosed
EP-1737832-B1 4-ANILINOQUINAZOLINE DERIVATIVES WITH ADENOSINE-KINASE INHIBITORY PROPERTIES UNICAMP (BR) 2011-12-14 EP disclosed
US-20070060600-A1 4-Anilinequinazolines with adenosine-kiase inhibitor properties UNIVERSIDADE ESTADUAL DE CAMPINAS-UNICAMP (BR) 2007-03-15 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 (1 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-20070060600-A1 4-Anilinequinazolines with adenosine-kiase inhibitor properties ADK, AK1, ADORA3 EGFR 3142/4885LCK 860/4885KDR 1289/4885

“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.