SCHEMBL2265147

SCHEMBL2265147

Nc1cc(Cl)c(-c2ccc(-c3ccccc3)cc2)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.47
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP2A6 P11509 1/20 0.46
MAP4K4 O95819 1/20 0.46
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PRKAB2 O43741 2/20 0.44
PRKAG1 P54619 2/20 0.44
PRKAA2 P54646 2/20 0.44
PRKAA1 Q13131 2/20 0.44
PRKAG3 Q9UGI9 2/20 0.44
PRKAG2 Q9UGJ0 2/20 0.44
PRKAB1 Q9Y478 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL12364208 0.96 ALDH1A1 (0.50) CSNK2A1HSD17B10ALDH1A1CYP2A6MAP4K4
SCHEMBL10922908 0.85 CSNK2A1 (0.48) CSNK2A1HSD17B10ALDH1A1CYP2A6MAP4K4
SCHEMBL15330505 0.83 AHR (0.48) ALDH1A1MAP4K4CYP3A4CYP1A2TDP1
SCHEMBL6572708 0.81 GAA (0.52) CSNK2A1HSD17B10ALDH1A1CYP2A6MAP4K4
SCHEMBL15653901 0.80 AHR (0.60) CSNK2A1ALDH1A1CYP2A6MAP4K4CYP1A2
SCHEMBL30296558 0.80 CSNK2A1 (0.44) CSNK2A1HSD17B10ALDH1A1CYP2A6MAP4K4
SCHEMBL26456968 0.80 CSNK2A1 (0.44) CSNK2A1HSD17B10ALDH1A1CYP2A6MAP4K4
SCHEMBL30594664 0.79 ALDH1A1 (0.62) HSD17B10ALDH1A1CYP2A6CYP3A4TAAR1
SCHEMBL7649793 0.79 ALDH1A1 (0.62) HSD17B10ALDH1A1CYP2A6CYP3A4TAAR1
SCHEMBL15340914 0.79 CD44 (0.46) HSD17B10ALDH1A1CYP3A4TDP1PRKAB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362731-B1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2016-04-06 EP disclosed
EP-2348857-B1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2016-02-24 EP disclosed
EP-2352374-B1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
EP-2352374-B1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-8563746-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2013-10-22 US disclosed
US-8563746-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2013-10-22 US disclosed
US-8563746-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2013-10-22 US disclosed
US-8410284-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2013-04-02 US disclosed
US-8410284-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2013-04-02 US disclosed
US-8329914-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2012-12-11 US disclosed
US-20110263533-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
US-20110263533-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
US-20110218174-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-08 US disclosed
EP-2362731-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS Merck Sharp & Dohme Corp. (US) 2011-09-07 EP disclosed
US-20110195964-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2011-08-11 US disclosed
US-20110195964-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2011-08-11 US disclosed
US-20110195964-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2011-08-11 US disclosed
WO-2010051206-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO disclosed
WO-2010047982-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-04-29 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-20110263533-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 CSNK2A1 679/4885HSD17B10 771/4885ALDH1A1 1887/4885
US-20110218174-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 CSNK2A1 679/4885HSD17B10 771/4885ALDH1A1 1887/4885
US-20110195964-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 CSNK2A1 679/4885HSD17B10 771/4885ALDH1A1 1887/4885

“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.