SCHEMBL6602310

SCHEMBL6602310

CCc1cccc(NC)n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.55
SCN5A Q14524 2/20 0.55
APP P05067 4/20 0.49
PDE10A Q9Y233 1/20 0.44
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA4 P43681 2/20 0.43
HSD11B1 P28845 1/20 0.42
NCF1 P14598 2/20 0.42
CXCR4 P61073 1/20 0.39
SYK P43405 1/20 0.38
CACNA1C Q13936 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL7797589 0.83 APP (0.54) KCNH2SCN5AAPPPDE10ANCF1
SCHEMBL21264107 0.83 CHRNB2 (0.41) KCNH2SCN5AAPPCHRNB2CHRNB4
SCHEMBL15539333 0.81 APP (0.47) KCNH2SCN5AAPPPDE10ANCF1
SCHEMBL20971411 0.81 APP (0.47) KCNH2SCN5AAPPPDE10AHSD11B1
SCHEMBL14252070 0.81 CHRNB2 (0.42) KCNH2SCN5AAPPCHRNB2CHRNB4
SCHEMBL12895814 0.81 CACNA1C (0.56) KCNH2SCN5AAPPCHRNB2CHRNB4
SCHEMBL5631959 0.81 APP (0.47) KCNH2SCN5AAPPPDE10ANCF1
SCHEMBL29907615 0.81 APP (0.47) KCNH2SCN5AAPPPDE10ANCF1
SCHEMBL12883344 0.79 CHRNB2 (0.41) KCNH2SCN5ACHRNB2CHRNB4CHRNA3
SCHEMBL11064636 0.79 APP (0.46) KCNH2SCN5AAPPPDE10ANCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
US-10793564-B2 Amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2020-10-06 US disclosed
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2019-09-12 US disclosed
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
US-20190100510-A1 BROMOTRIAZOLE INTERMEDIATES AMGEN INC. (US) 2019-04-04 US disclosed
US-9573936-B2 Triazole agonists of the APJ receptor AMGEN INC. (US) 2017-02-21 US disclosed
US-20160296592-A1 Methods and Compositions for the Treatment of Proteinuric Diseases THE GENERAL HOSPITAL CORPORATION 2016-10-13 US disclosed
US-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands GENESTE HERVE 2010-02-25 US disclosed
US-20070219233-A1 Antitumor, antiinflammatory, antiarthritic agents, treating metastasis, restenosis, osteoporosis, macular degeneration, and diabetic retinopathy; 7-(2-{1-[1-(3-Benzyloxy-phenyl)-2-ethoxycarbonyl-vinyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester LU TIANBO 2007-09-20 US disclosed
US-7241789-B2 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICAL, INC. (US) 2007-07-10 US disclosed
EP-1390362-A1 SUBSTITUTED BENZOFURANS AND BENZOTHIOPHENES, METHODS OF MAKING AND METHODS OF USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-02-25 EP disclosed
WO-2002088118-A1 SUBSTITUTED BENZOFURANS AND BENZOTHIOPHENES, METHODS OF MAKING AND METHODS OF USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-11-07 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 (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-20160296592-A1 Methods and Compositions for the Treatment of Proteinuric Diseases ITGB3, PLAUR, PROC KCNH2 2085/4885SCN5A 717/4885APP 1116/4885
US-20070219233-A1 Antitumor, antiinflammatory, antiarthritic agents, treating metastasis, restenosis, osteoporosis, macular degeneration, and diabetic retinopathy; 7-(2-{1-[1-(3-Benzyloxy-phenyl)-2-ethoxycarbonyl-vinyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester ITGA5, ADGRE5, ITGAV KCNH2 706/4885SCN5A 912/4885APP 1632/4885
US-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands ITGB3, ITGAL, ITGB4 KCNH2 1086/4885SCN5A 338/4885APP 2989/4885
US-20190100510-A1 BROMOTRIAZOLE INTERMEDIATES APH1A, BRDT, APH1B KCNH2 4734/4885SCN5A 4739/4885APP 2789/4885
US-10793564-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 KCNH2 2136/4885SCN5A 85/4885APP 2093/4885
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 KCNH2 2136/4885SCN5A 85/4885APP 2093/4885
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A KCNH2 52/4885SCN5A 14/4885APP 411/4885
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 KCNH2 4651/4885SCN5A 4757/4885APP 4816/4885

“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.