SCHEMBL82675

SCHEMBL82675

CC(=O)Nc1ccc(C(=O)O)cn1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 16/20 0.68
PTK2 Q05397 1/20 0.61
HCAR2 Q8TDS4 2/20 0.57
CYP1A2 P05177 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54

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
Toluene SCHEMBL9060786 0.91 HCAR3 (0.63) HCAR3PTK2HCAR2
Pyridine SCHEMBL5437479 0.91 HCAR3 (0.59) HCAR3PTK2HCAR2CYP1A2KMT2A
SCHEMBL7093993 0.87 PTK2 (0.62) HCAR3PTK2CYP1A2GAAKMT2A
SCHEMBL27343709 0.87 KDM4E (0.62) HCAR3PTK2HCAR2KMT2A
SCHEMBL28118455 0.86 PTK2 (0.54) HCAR3PTK2CYP1A2GAAKMT2A
SCHEMBL27347169 0.85 HCAR3 (0.55) HCAR3PTK2HCAR2CYP1A2GAA
SCHEMBL27349315 0.84 HCAR3 (0.50) HCAR3PTK2HCAR2KMT2A
SCHEMBL27347795 0.84 HCAR3 (0.52) HCAR3PTK2HCAR2GAAKMT2A
SCHEMBL27335268 0.84 HCAR3 (0.52) HCAR3PTK2HCAR2KMT2A
SCHEMBL25190504 0.84 PTK2 (0.59) HCAR3PTK2CYP1A2GAAKMT2A

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 121 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115819333-A Preparation method of Abelix intermediate 6-aminonicotinic acid 浙江科聚生物医药有限公司 2023-03-21 CN disclosed
US-20210353602-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-11-18 US disclosed
US-20210346358-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-11-11 US disclosed
US-10426760-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-10-01 US disclosed
US-20190209536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-07-11 US disclosed
US-20190175567-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-06-13 US disclosed
WO-2018086703-A1 DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-17 WO disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-9844539-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-12-19 US disclosed
US-9844539-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-12-19 US disclosed
US-6835724-B2 Topical antiinflammatory agents for treating inflammatory dermatoses AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-12-28 US disclosed
WO-2004029055-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2004-04-08 WO disclosed
US-20040014766-A1 Amide substituted xanthine derivatives HOFFMANN-LA ROCHE INC. 2004-01-22 US disclosed
WO-2003106459-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-12-24 WO disclosed
US-20020103392-A1 CORTICOID-17,21-DICARBOXYLIC ESTERS AND CORTICOSTEROID 17-CARBOXYLIC ESTER 21-CARBONIC ESTERS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-01 US disclosed
US-5608093-A ANTIINFLAMMATORY AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed
EP-0646593-A1 Corticoid-17,21-dicarboxylic acid ester and corticosteroid-17-carboxylic acid ester-21-carbonic, process for their production and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-05 EP disclosed
EP-0640616-A2 17-Alkylcarbonate, 21-0-carbonic/carboxylic acid esters of corticosteroids, a method for their production and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-01 EP disclosed
EP-0244728-B1 USE OF HETEROARYLETHYL AMINES TO STIMULATE ANIMAL GROWTH, HETEROARYLETHYL AMINES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1992-11-11 EP disclosed
EP-0244728-A2 Use of heteroarylethyl amines to stimulate animal growth, heteroarylethyl amines and process for their preparation BAYER AG (DE) 1987-11-11 EP 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 (8 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-20040014766-A1 Amide substituted xanthine derivatives GYS2, GLS2, PYGL HCAR3 679/4885PTK2 4679/4885HCAR2 833/4885
US-20210346358-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 HCAR3 3320/4885PTK2 118/4885HCAR2 3241/4885
US-20020103392-A1 CORTICOID-17,21-DICARBOXYLIC ESTERS AND CORTICOSTEROID 17-CARBOXYLIC ESTER 21-CARBONIC ESTERS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS NR3C1, HSD3B1, HSD17B7 HCAR3 57/4885PTK2 1888/4885HCAR2 58/4885
US-20210353602-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 HCAR3 3320/4885PTK2 118/4885HCAR2 3241/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HCAR3 2703/4885PTK2 4052/4885HCAR2 1991/4885
US-10426760-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, MAP3K13, MAP3K8 HCAR3 3320/4885PTK2 118/4885HCAR2 3241/4885
US-20190209536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 HCAR3 3320/4885PTK2 118/4885HCAR2 3241/4885
US-20190175567-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 HCAR3 3320/4885PTK2 118/4885HCAR2 3241/4885

“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.