Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6723809

CCOCc1nc2c(N)nc3ccccc3c2n1CCC(C)C.Cl

nearest known ligand 0.71

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 3)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 9/20 0.71
▸ TLR7 Q9NYK1 19/20 0.69
▸ NUDT1 P36639 1/20 0.66

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
SCHEMBL6726382 0.99 TLR8 (0.72) TLR8TLR7NUDT1
SCHEMBL29977522 0.88 TLR7 (0.74) TLR8TLR7NUDT1
SCHEMBL893024 0.88 TLR7 (0.74) TLR8TLR7NUDT1
Hydrochloric Acid SCHEMBL6493853 0.88 TLR8 (0.82) TLR8TLR7NUDT1
Hydrochloric Acid SCHEMBL3863644 0.88 TLR8 (0.82) TLR8TLR7NUDT1
SCHEMBL25697382 0.88 TLR8 (0.78) TLR8TLR7NUDT1
Hydrochloric Acid SCHEMBL6502660 0.87 TLR8 (0.74) TLR8TLR7NUDT1
Hydrochloric Acid SCHEMBL6502703 0.87 TLR8 (0.74) TLR8TLR7NUDT1
SCHEMBL6098914 0.87 TLR8 (0.77) TLR8TLR7NUDT1
SCHEMBL1616206 0.87 TLR8 (0.84) TLR8TLR7NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790961-B2 REACTING A 3-AMINO-4-(SUBSTITUTED)AMINO-2-CHLOROQUINOLINE WITH AN ALKYLCARBONYL CHLORIDE TO FORM THE 2-ALKYLCARBOXAMIDE INTERMEDIATE 3M INNOVATIVE PROPERTIES COMPANY 2004-09-14 — — US disclosed
US-20040122231-A1 Process for preparing 1-substituted, 2-substituted 1H-imidazo[4,5-c]quinolin-4-amines 3M INNOVATIVE PROPERTIES COMPANY 2004-06-24 — — US disclosed
US-6686472-B2 Process for preparing 1-substituted, 2-substituted 1-H-imidazo(4,5-c)quinolin-4-amines 3M INNOVATIVE PROPERTIES COMPANY 2004-02-03 — — US disclosed
US-20030212270-A1 Process for preparing 1-Substituted, 2-Substituted 1-H-Imidazo(4,5-c)quinolin-4-Amines 3M INNOVATIVE PROPERTIES COMPANY 2003-11-13 — — US disclosed
US-6608201-B2 Amidation of a 2-halo-3,4-diaminoquinoline with an acid chloride; dehalogenation, amination with ammonia; cyclization 3M INNOVATIVE PROPERTIES COMPANY 2003-08-19 — — US disclosed
US-20030119861-A1 Process for preparing 1-substituted, 2-substituted 1H-imidazo[4,5-c]quinolin-4-amines 3M INNOVATIVE PROPERTIES COMPANY 2003-06-26 — — US disclosed
US-6465654-B2 ANTIVIRAL AGENTS, THAT INDUCE BIOSYNTHESIS OF INTERFERON, AND INHIBIT TUMOR FORMATION 3M INNOVATIVE PROPERTIES COMPANY 2002-10-15 — — US disclosed
US-20020115861-A1 Process for preparing 1-substituted, 2-substituted 1H-imidazo [4, 5-c] quinoline-4-amines 3M INNOVATIVE PROPERTIES COMPANY 2002-08-22 — — US disclosed
US-6348462-B1 VIRICIDES 3M INNOVATIVE PROPERTIES COMPANY 2002-02-19 — — US disclosed
US-5977366-A 1-substituted, 2-substituted 1H-imidazo[4,5-c] quinolin-4-amines 3M INNOVATIVE PROPERTIES COMPANY (US) 1999-11-02 — — US disclosed
US-5741909-A PHARMACEUTICAL COMPOSITIONS WHICH ACT AS ANTIVIRAL AGENTS, INDUCE BIOSYNTHESIS OF INTERFERON AND INHIBIT TUMOR FORMATION IN ANIMALS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-04-21 — — US disclosed
US-5605899-A VIRICIDES, BIOSYNTHESIS OF INTERFERONS, ANTITUMOR AGENTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-02-25 — — US disclosed
US-5389640-A Viricides, antitumor agents MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-02-14 — — 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 (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-20030212270-A1 Process for preparing 1-Substituted, 2-Substituted 1-H-Imidazo(4,5-c)quinolin-4-Amines IFNAR1, IRF3, IFNG TLR8 382/4885TLR7 101/4885NUDT1 58/4885
US-20020115861-A1 Process for preparing 1-substituted, 2-substituted 1H-imidazo [4, 5-c] quinoline-4-amines IFNAR1, IFNG, IRF3 TLR8 335/4885TLR7 54/4885NUDT1 47/4885
US-20040122231-A1 Process for preparing 1-substituted, 2-substituted 1H-imidazo[4,5-c]quinolin-4-amines UGT1A4, QARS1, HTR4 TLR8 1825/4885TLR7 1287/4885NUDT1 118/4885
US-20030119861-A1 Process for preparing 1-substituted, 2-substituted 1H-imidazo[4,5-c]quinolin-4-amines IRF3, IFNAR1, IFNG TLR8 336/4885TLR7 105/4885NUDT1 61/4885

“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.

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