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SCHEMBL3481175

SCHEMBL3481175

COC(=O)c1cc(Oc2nc3cc(-c4ccc(-c5cccnc5)cc4)c(Cl)cc3[nH]2)ccc1C

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRKAG1 P54619 13/20 0.72
▸ PRKAB1 Q9Y478 13/20 0.72
▸ PRKAA2 P54646 10/20 0.72
▸ PRKAA1 Q13131 6/20 0.72
▸ PRKAB2 O43741 1/20 0.72
▸ TFDP2 Q14188 1/20 0.72
▸ PRKAG3 Q9UGI9 1/20 0.72
▸ PRKAG2 Q9UGJ0 1/20 0.72
▸ SLC2A1 P11166 1/20 0.44
▸ NR4A2 P43354 2/20 0.43
▸ CYP19A1 P11511 1/20 0.42
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ GABRA1 P14867 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ PRCP P42785 1/20 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
SCHEMBL13437360 0.97 PRKAG1 (0.67) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3038404 0.92 PRKAG1 (0.84) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481147 0.91 PRKAG1 (0.86) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481054 0.91 PRKAG1 (0.71) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13385415 0.91 PRKAG1 (0.58) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437489 0.89 PRKAG1 (0.81) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437441 0.89 PRKAG1 (0.72) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437413 0.89 PRKAG1 (0.72) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481366 0.88 PRKAG1 (0.74) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481535 0.88 PRKAG1 (0.74) 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 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 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.