SCHEMBL1118952

SCHEMBL1118952

O=c1[nH]c2scc(-c3ccc(-c4ccccc4O)cc3)c2c(O)c1-c1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 2/20 0.64
PRKAA1 Q13131 2/20 0.64
PRKAB1 Q9Y478 2/20 0.64
PRKAA2 P54646 2/20 0.64
PRKAB2 O43741 1/20 0.64
PRKAG3 Q9UGI9 1/20 0.64
PRKAG2 Q9UGJ0 1/20 0.64
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 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
SCHEMBL1118942 0.92 PRKAG1 (0.67) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL1118770 0.91 PRKAB2 (0.51) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL1118720 0.91 PRKAB2 (0.51) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL1190782 0.90 PRKAB2 (0.50) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL1118744 0.90 PRKAB2 (0.49) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL1118959 0.89 PRKAG1 (0.59) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL1118963 0.87 PRKAB2 (0.46) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL1191138 0.86 PRKAB2 (0.46) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL1119001 0.85 RAB9A (0.46) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL1118972 0.85 KDM4E (0.53) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604202-B2 Thienopyridone derivatives as AMP-activated protein kinase (AMPK) activators MERCK PATENT GMBH (DE) 2013-12-10 US claimed
EP-2280952-B1 THIENOPYRIDONE DERIVATIVES AS AMP-ACTIVATED PROTEIN KINASE (AMPK) ACTIVATORS MERCK PATENT GMBH (DE) 2012-06-27 EP claimed
US-20110060001-A1 THIENOPYRIDONE DERIVATIVES AS AMP- ACTIVATED PROTEIN KINASE (AMPK) ACTIVATORS MERCK PATENT GESELLSCHAFT (DE) 2011-03-10 US claimed
EP-2280952-A1 THIENOPYRIDONE DERIVATIVES AS AMP-ACTIVATED PROTEIN KINASE (AMPK) ACTIVATORS Merck Patent GmbH (DE) 2011-02-09 EP claimed
WO-2009135580-A1 THIENOPYRIDONE DERIVATIVES AS AMP-ACTIVATED PROTEIN KINASE (AMPK) ACTIVATORS MERCK PATENT GMBH (DE) 2009-11-12 WO claimed
US-8604202-B2 Thienopyridone derivatives as AMP-activated protein kinase (AMPK) activators MERCK PATENT GMBH (DE) 2013-12-10 US disclosed
EP-2280952-B1 THIENOPYRIDONE DERIVATIVES AS AMP-ACTIVATED PROTEIN KINASE (AMPK) ACTIVATORS MERCK PATENT GMBH (DE) 2012-06-27 EP disclosed
US-20110060001-A1 THIENOPYRIDONE DERIVATIVES AS AMP- ACTIVATED PROTEIN KINASE (AMPK) ACTIVATORS MERCK PATENT GESELLSCHAFT (DE) 2011-03-10 US disclosed
EP-2280952-A1 THIENOPYRIDONE DERIVATIVES AS AMP-ACTIVATED PROTEIN KINASE (AMPK) ACTIVATORS Merck Patent GmbH (DE) 2011-02-09 EP disclosed
WO-2009135580-A1 THIENOPYRIDONE DERIVATIVES AS AMP-ACTIVATED PROTEIN KINASE (AMPK) ACTIVATORS MERCK PATENT GMBH (DE) 2009-11-12 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-20110060001-A1 THIENOPYRIDONE DERIVATIVES AS AMP- ACTIVATED PROTEIN KINASE (AMPK) ACTIVATORS PRKAB1, PRKAB2, PRKAG1 PRKAG1 3/4885PRKAA1 4/4885PRKAB1 1/4885

“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.