SCHEMBL6996298

SCHEMBL6996298

Cc1ccc(Oc2nc3cc(-c4ccccc4F)c(Cl)cc3[nH]2)cc1C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 13/20 0.76
PRKAB1 Q9Y478 13/20 0.76
PRKAA2 P54646 10/20 0.76
PRKAA1 Q13131 7/20 0.76
PRKAB2 O43741 2/20 0.76
PRKAG3 Q9UGI9 2/20 0.76
PRKAG2 Q9UGJ0 2/20 0.76
TFDP2 Q14188 1/20 0.76
DHODH Q02127 5/20 0.39
EGLN1 Q9GZT9 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL3481141 0.94 PRKAG1 (0.84) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437421 0.91 PRKAG1 (0.80) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437359 0.91 PRKAG1 (0.80) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437535 0.91 PRKAG1 (0.63) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437480 0.90 PRKAG1 (0.69) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3163783 0.89 PRKAG1 (0.68) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437301 0.88 PRKAG1 (0.96) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
Ammonia Solution, Strong SCHEMBL3481233 0.88 PRKAG1 (0.67) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
Ammonia Solution, Strong SCHEMBL3481236 0.88 PRKAG1 (0.67) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437443 0.88 PRKAG1 (0.75) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2

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-8394969-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP. (US) 2013-03-12 US disclosed
WO-2013006526-A2 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-10 WO disclosed
WO-2012164071-A1 IMIDAZOLE DERIVATIVES INTERVET INTERNATIONAL B.V. (NL) 2012-12-06 WO disclosed
WO-2012096813-A1 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-07-19 WO disclosed
WO-2012064569-A1 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-05-18 WO disclosed
WO-2012024179-A1 SUBSTITUTED AMIDE DERIVATIVES AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
WO-2011127643-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-10-20 WO disclosed
WO-2011037771-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM MERCK SHARP & DOHME CORP. (US) 2011-03-31 WO disclosed
WO-2010108268-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-09-30 WO disclosed
WO-2010094126-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-08-26 WO disclosed
WO-2010043052-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-04-22 WO disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 US disclosed
WO-2010025553-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-03-11 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 (1 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-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 PRKAG1 2/4885PRKAB1 5/4885PRKAA2 12/4885

“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.