SCHEMBL3481046

SCHEMBL3481046

Cc1c(Oc2nc3cc(-c4ccc5c(ccn5C)c4)c(Cl)cc3[nH]2)cccc1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKAB1 Q9Y478 19/20 0.72
PRKAG1 P54619 18/20 0.72
PRKAA2 P54646 16/20 0.72
PRKAA1 Q13131 7/20 0.72
PRKAG2 Q9UGJ0 2/20 0.53
PRKAB2 O43741 2/20 0.53
PRKAG3 Q9UGI9 2/20 0.53
TFDP2 Q14188 1/20 0.53

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
SCHEMBL3481219 0.85 PRKAB1 (0.83) PRKAB1PRKAG1PRKAA2PRKAA1PRKAG2
SCHEMBL3481315 0.84 PRKAB1 (1.00) PRKAB1PRKAG1PRKAA2PRKAA1PRKAG2
SCHEMBL3481370 0.84 PRKAB1 (0.73) PRKAB1PRKAG1PRKAA2PRKAA1PRKAG2
SCHEMBL3481008 0.83 PRKAB1 (0.87) PRKAB1PRKAG1PRKAA2PRKAA1PRKAG2
SCHEMBL12241831 0.79 PRKAB1 (0.75) PRKAB1PRKAG1PRKAA2PRKAA1PRKAG2
SCHEMBL25735804 0.79 PRKAB1 (0.87) PRKAB1PRKAG1PRKAA2PRKAA1PRKAG2
SCHEMBL29659537 0.78 PRKAG1 (0.55) PRKAB1PRKAG1PRKAA2PRKAA1PRKAG2
SCHEMBL14823320 0.78 PRKAB1 (0.75) PRKAB1PRKAG1PRKAA2PRKAA1PRKAG2
SCHEMBL12266521 0.78 PRKAB1 (0.75) PRKAB1PRKAG1PRKAA2PRKAA1PRKAG2
SCHEMBL3481298 0.78 PRKAB1 (0.72) PRKAB1PRKAG1PRKAA2PRKAA1PRKAG2

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 6 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
US-8394969-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP. (US) 2013-03-12 US disclosed
US-8394969-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP. (US) 2013-03-12 US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 US 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 PRKAB1 5/4885PRKAG1 2/4885PRKAA2 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.