SCHEMBL1191503

SCHEMBL1191503

COc1ccc(-c2c(O)c3c(-c4ccc(F)cc4)csc3[nH]c2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.53
TP53 P04637 1/20 0.47
SIRT5 Q9NXA8 1/20 0.45
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
RAB9A P51151 1/20 0.39

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
SCHEMBL1189947 1.00 GSK3B (0.53) GSK3BTP53SIRT5PRKAB2PRKAG1
SCHEMBL1190911 0.94 SIRT5 (0.49) GSK3BSIRT5PRKAB2PRKAG1PRKAA2
SCHEMBL1190433 0.90 PRKAB2 (0.49) SIRT5PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1191621 0.90 PRKAB2 (0.49) SIRT5PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1190771 0.89 GSK3B (0.47) GSK3BTP53SIRT5PRKAB2PRKAG1
SCHEMBL1190562 0.87 PRKAB2 (0.47) SIRT5PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1189879 0.87 PRKAB2 (0.47) SIRT5PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1190496 0.86 PRKAB2 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1119047 0.85 PRKAB2 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1119001 0.84 RAB9A (0.46) SIRT5PRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034505-A1 THIENOPYRIDONE DERIVATIVES AS AMP-ACTIVATED PROTEIN KINASE (AMPK) ACTIVATORS MERCK PATENT GESELLSCHAFT (DE) 2011-02-10 US claimed
EP-2262500-A1 THIENOPYRIDONE DERIVATIVES AS AMP-ACTIVATED PROTEIN KINASE (AMPK) ACTIVATORS Merck Patent GmbH (DE) 2010-12-22 EP claimed
WO-2009124636-A1 THIENOPYRIDONE DERIVATIVES AS AMP-ACTIVATED PROTEIN KINASE (AMPK) ACTIVATORS MERCK PATENT GMBH (DE) 2009-10-15 WO claimed
US-8563729-B2 Thienopyridone derivatives as AMP-activated protein kinase (AMPK) activators MERCK PATENT GMBH (DE) 2013-10-22 US disclosed
US-20110034505-A1 THIENOPYRIDONE DERIVATIVES AS AMP-ACTIVATED PROTEIN KINASE (AMPK) ACTIVATORS MERCK PATENT GESELLSCHAFT (DE) 2011-02-10 US disclosed
EP-2262500-A1 THIENOPYRIDONE DERIVATIVES AS AMP-ACTIVATED PROTEIN KINASE (AMPK) ACTIVATORS Merck Patent GmbH (DE) 2010-12-22 EP disclosed
WO-2009124636-A1 THIENOPYRIDONE DERIVATIVES AS AMP-ACTIVATED PROTEIN KINASE (AMPK) ACTIVATORS MERCK PATENT GMBH (DE) 2009-10-15 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-20110034505-A1 THIENOPYRIDONE DERIVATIVES AS AMP-ACTIVATED PROTEIN KINASE (AMPK) ACTIVATORS PRKAB1, PRKAG1, PRKAG3 GSK3B 608/4885TP53 2116/4885SIRT5 600/4885

“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.