SCHEMBL1186707

SCHEMBL1186707

Oc1ccc(-n2ccnn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 13/20 0.64
▸ MAPT P10636 1/20 0.53
▸ CYP19A1 P11511 1/20 0.50
▸ KEAP1 Q14145 1/20 0.47
▸ ENPP2 Q13822 1/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ MIF P14174 2/20 0.41

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
SCHEMBL10447781 0.89 NOTUM (0.78) NOTUMCYP19A1KEAP1
SCHEMBL29378534 0.79 MAPT (0.50) NOTUMMAPTCYP19A1ENPP2MKNK1
SCHEMBL11102521 0.78 NOTUM (1.00) NOTUMCYP19A1KEAP1
SCHEMBL21777006 0.78 NOTUM (1.00) NOTUMCYP19A1KEAP1
SCHEMBL3089639 0.78 NOTUM (0.64) NOTUMCYP19A1KEAP1
SCHEMBL76794 0.78 NOTUM (0.64) NOTUMMAPTCYP19A1KEAP1
SCHEMBL8117312 0.78 NOTUM (0.64) NOTUMCYP19A1KEAP1
SCHEMBL482167 0.78 NOTUM (0.64) NOTUMCYP19A1KEAP1
SCHEMBL239581 0.78 NOTUM (1.00) NOTUMMAPTCYP19A1KEAP1
SCHEMBL3681868 0.78 NOTUM (0.64) NOTUMCYP19A1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115755526-A Photosensitive resin composition and method for producing cured relief pattern 旭化成株式会社 2023-03-07 — — CN disclosed
CN-111285850-B Isoindoline compounds, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2022-04-22 — — CN disclosed
US-20160213618-A1 COMPOSITIONS OF 5-ETHYL-2--PYRIMIDINE CYMABAY THERAPEUTICS INC (US) 2016-07-28 — — US disclosed
US-9241924-B2 Compositions of 5-ethyl-2-{4-[4-(4-tetrazol-1-yl-phenoxymethyl)-thiazol-2-yl]-piperidin-1-yl}-pyrimidine CYMABAY THERAPEUTICS, INC. (US) 2016-01-26 — — US disclosed
CN-101312948-B Biaryl substituted heterocycle inhibitors of lTA4H for treating inflammation DECODE GENETICS EHF 2015-01-14 — — CN disclosed
EP-1926708-B1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2014-06-18 — — EP disclosed
CN-103483317-A Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBVIE INC 2014-01-01 — — CN disclosed
EP-2643310-A1 4- (5-CYANO-PYRAZOL-1-YL) -PIPERIDINE DERIVATIVES AS GPR 119 MODULATORS Pfizer Inc (US) 2013-10-02 — — EP disclosed
CN-103328482-A New bicyclic compound for modulating G protein-coupled receptors HANMI PHARM IND CO LTD 2013-09-25 — — CN disclosed
CN-103298801-A 4- (5-cyano-pyrazol-1-yl) -piperidine derivatives as GPR 119 modulators PFIZER 2013-09-11 — — CN disclosed
CN-1925833-A Keratin dyeing compounds, keratin dyeing compositions containing them, and their use PROCTER & GAMBLE (US) 2007-03-07 — — CN disclosed
US-20060116407-A1 Amide derivatives HOFFMANN-LA ROCHE INC. 2006-06-01 — — US disclosed
WO-2006053778-A2 AMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-26 — — WO disclosed
CN-1184196-C Substituted benzoylguanidines, process for their preparation, their use as a medicament or diagnostic, and medicament containing them AVENTIS PHARMA GMBH (DE) 2005-01-12 — — CN disclosed
US-6703411-B2 ANTIISCHEMIC AGENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-03-09 — — US disclosed
CN-1422257-A Aryl substituted pyrazoles, triazoles and tetrazoles as sodium channel blocker EURO CELTIQUE SA (LU) 2003-06-04 — — CN disclosed
CN-1395558-A substituted benzoylguanidines, process for their preparation, their use as a medicament or diagnostic, and medicament containing them AVENTIS PHARMA GMBH (DE) 2003-02-05 — — CN disclosed
EP-1259481-A1 SUBSTITUTED BENZOYLGUANIDINES, METHOD FOR THEIR PRODUCTION, THEIR USE AS A MEDICAMENT OR DIAGNOSTIC AGENT AND A MEDICAMENT CONTAINING THE SAME Aventis Pharma Deutschland GmbH (DE) 2002-11-27 — — EP disclosed
US-20010016596-A1 Substituted benzoylguanidines, process for their preparation, their use as a medicament or diagnostic, and medicament containing them AVENTIS PHARMA DEUTSCHLAND GMBH. 2001-08-23 — — US disclosed
WO-2001053256-A1 SUBSTITUTED BENZOYLGUANIDINES, METHOD FOR THEIR PRODUCTION, THEIR USE AS A MEDICAMENT OR DIAGNOSTIC AGENT AND A MEDICAMENT CONTAINING THE SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-07-26 — — 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 (3 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-20060116407-A1 Amide derivatives GLS, SDHA, GLS2 NOTUM 345/4885MAPT 3340/4885CYP19A1 47/4885
US-20160213618-A1 COMPOSITIONS OF 5-ETHYL-2--PYRIMIDINE DPYD, UMPS, TYMS NOTUM 2972/4885MAPT 1318/4885CYP19A1 2635/4885
US-20010016596-A1 Substituted benzoylguanidines, process for their preparation, their use as a medicament or diagnostic, and medicament containing them TNNI3, TNNT2, RYR1 NOTUM 2759/4885MAPT 4830/4885CYP19A1 1619/4885

“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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