Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4507765

COCCOCCOc1ccc2c(C3C(=O)Nc4cc(Cl)ccc43)ncnc2c1.Cl

nearest known ligand 0.49

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 4/20 0.46
FLT1 known ✓ P17948 3/20 0.46
FGFR1 known ✓ P11362 2/20 0.46
EGFR known ✓ P00533 3/20 0.37
FLT4 known ✓ P35916 1/20 0.33
PDGFRB known ✓ P09619 2/20 0.33
MAOA known ✓ P21397 1/20 0.33
CHEK1 O14757 1/20 0.49
ILK Q13418 3/20 0.38
FGFR2 P21802 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HTT P42858 1/20 0.34
APP P05067 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
FBP1 P09467 1/20 0.33
KDM1A O60341 1/20 0.33
DYRK1A Q13627 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33

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 SCHEMBL4498721 0.93 KDR (0.46) CHEK1KDRFLT1FGFR1ILK
Hydrochloric Acid SCHEMBL4513516 0.88 CHEK1 (0.47) CHEK1KDRFLT1FGFR1ILK
Hydrochloric Acid SCHEMBL5494916 0.85 CHEK1 (0.42) CHEK1KDRFLT1FGFR1ILK
SCHEMBL7205641 0.84 CHEK1 (0.50) CHEK1KDRFLT1FGFR1ILK
SCHEMBL5274225 0.84 CHEK1 (0.42) CHEK1KDRFLT1FGFR1ILK
Hydrochloric Acid SCHEMBL5500549 0.81 CHEK1 (0.41) CHEK1KDRFLT1FGFR1ILK
Hydrochloric Acid SCHEMBL5499266 0.81 CHEK1 (0.41) CHEK1KDRFLT1FGFR1ILK
SCHEMBL3935762 0.80 CHEK1 (0.58) CHEK1KDRFLT1FGFR1ILK
SCHEMBL5272895 0.80 CHEK1 (0.41) CHEK1KDRFLT1FGFR1ILK
Hydrochloric Acid SCHEMBL4504657 0.79 CHEK1 (0.77) CHEK1KDRFLT1FGFR1EGFR

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-20090312322-A1 Use of Oxindole Derivatives in the Treatment of Dementia Related Diseases, Alzheimer's Disease and Conditions Associated with Glycogen Synthase Kinase-3 ASTRAZENECA AB (SE) 2009-12-17 US claimed
US-20050070559-A1 Use of oxindole derivatives in the treatment of dementia related diseases, alzheimer's disease and conditions associated with glycogen synthase kinase-3 ASTRAZENECA AB (SE) 2005-03-31 US claimed
EP-1458394-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 AstraZeneca AB (SE) 2004-09-22 EP claimed
WO-2003055492-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER'S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 ASTRAZENECA AB (SE) 2003-07-10 WO claimed
US-20090312322-A1 Use of Oxindole Derivatives in the Treatment of Dementia Related Diseases, Alzheimer's Disease and Conditions Associated with Glycogen Synthase Kinase-3 ASTRAZENECA AB (SE) 2009-12-17 US disclosed
EP-1458394-B1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 ASTRAZENECA AB (SE) 2008-10-22 EP disclosed
US-20050070559-A1 Use of oxindole derivatives in the treatment of dementia related diseases, alzheimer's disease and conditions associated with glycogen synthase kinase-3 ASTRAZENECA AB (SE) 2005-03-31 US disclosed
EP-1458394-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003055492-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER'S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 ASTRAZENECA AB (SE) 2003-07-10 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-20050070559-A1 Use of oxindole derivatives in the treatment of dementia related diseases, alzheimer's disease and conditions associated with glycogen synthase kinase-3 GSK3A, GSK3B, PYGB KDR 3980/4885FLT1 3848/4885FGFR1 3375/4885
US-20090312322-A1 Use of Oxindole Derivatives in the Treatment of Dementia Related Diseases, Alzheimer's Disease and Conditions Associated with Glycogen Synthase Kinase-3 GSK3A, GSK3B, PSEN1 KDR 3528/4885FLT1 3625/4885FGFR1 3328/4885

“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.