SCHEMBL3481279

SCHEMBL3481279

COC(=O)c1cc(Oc2nc3cc(C#Cc4ccccc4C)c(Cl)cc3[nH]2)ccc1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 13/20 0.67
PRKAB1 Q9Y478 13/20 0.67
PRKAA2 P54646 9/20 0.67
PRKAA1 Q13131 7/20 0.56
PRKAB2 O43741 1/20 0.56
TFDP2 Q14188 1/20 0.56
PRKAG3 Q9UGI9 1/20 0.56
PRKAG2 Q9UGJ0 1/20 0.56
RHEB Q15382 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
NPY5R Q15761 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHEK2 O96017 1/20 0.34

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
SCHEMBL3257646 0.92 PRKAG1 (0.64) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13402601 0.92 PRKAG1 (0.64) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13385272 0.92 PRKAG1 (0.80) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481252 0.91 PRKAG1 (0.81) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481231 0.88 PRKAG1 (0.69) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481036 0.88 PRKAG1 (0.69) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481621 0.88 PRKAG1 (0.68) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481058 0.87 PRKAG1 (0.67) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13385177 0.87 PRKAG1 (0.67) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481377 0.87 PRKAG1 (0.67) 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 4 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-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.