Hydrochloric Acid

Hydrochloric Acid

SCHEMBL20547016

CCOC(=O)c1c(N)cc(OC)c(OC)c1OC.Cl

nearest known ligand 0.53

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
DPP4 known ✓ P27487 2/20 0.48
GAA known ✓ P10253 3/20 0.47
PRKCZ known ✓ Q05513 1/20 0.43
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B2 P37059 1/20 0.47
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.45
FHIT P49789 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP3A4 P08684 1/20 0.43
LMNA P02545 1/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42

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
SCHEMBL27533994 0.85 MAPT (0.45) DPP4ALDH1A1GAAHPGDMAPT
SCHEMBL1806113 0.82 KDM4E (0.60) ALDH1A1GAAHPGDMAPTSMN1; SMN2
SCHEMBL10741154 0.80 MAPT (0.49) ALDH1A1GAAHPGDMAPTSMN1; SMN2
SCHEMBL9559705 0.80 KDM4E (0.45) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL1807423 0.77 KDM4E (0.49) ALDH1A1HPGDSMN1; SMN2KDM4EPOLB
SCHEMBL29033634 0.77 KDM4E (0.49) ALDH1A1MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL28715239 0.77 ALOX5 (0.50) ALDH1A1GAAHPGDMAPTSMN1; SMN2
SCHEMBL10750773 0.77 MAPT (0.45) DPP4ALDH1A1GAAHPGDMAPT
SCHEMBL7681196 0.75 KDM4E (0.44) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL3373962 0.74 KDM4E (0.69) DPP4ALDH1A1GAAHPGDMAPT

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
CN-110573505-B C 5 -anilinoquinazoline compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2023-04-11 CN disclosed
EP-3615522-B1 C5-ANILINOQUINAZOLINE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2021-08-04 EP disclosed
US-10829479-B2 C5-anilinoquinazoline compounds and their use in treating cancer ASTRAZENECA AB (SE) 2020-11-10 US disclosed
EP-3615522-A1 C5-ANILINOQUINAZOLINE COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca (SE) 2020-03-04 EP disclosed
CN-110573505-A C5-anilinoquinazoline compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2019-12-13 CN disclosed
US-20190263787-A1 C5-anilinoquinazoline Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2019-08-29 US disclosed
US-10273227-B2 C5-anilinoquinazoline compounds and their use in treating cancer ASTRAZENECA AB (SE) 2019-04-30 US disclosed
US-20180312490-A1 C5-ANILINOQUINAZOLINE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2018-11-01 US disclosed
WO-2018197642-A1 C5-ANILINOQUINAZOLINE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2018-11-01 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-20190263787-A1 C5-anilinoquinazoline Compounds and Their Use in Treating Cancer KIT, C5, C9 DPP4 1833/4885GAA 3473/4885PRKCZ 2028/4885
US-20180312490-A1 C5-ANILINOQUINAZOLINE COMPOUNDS AND THEIR USE IN TREATING CANCER KIT, C5, C9 DPP4 1833/4885GAA 3473/4885PRKCZ 2028/4885
US-10829479-B2 C5-anilinoquinazoline compounds and their use in treating cancer KIT, C5, C9 DPP4 1833/4885GAA 3473/4885PRKCZ 2028/4885
US-10273227-B2 C5-anilinoquinazoline compounds and their use in treating cancer KIT, C5, C9 DPP4 1833/4885GAA 3473/4885PRKCZ 2028/4885

“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.