SCHEMBL1040123

SCHEMBL1040123

Cc1c(Br)sc2[nH]c(=O)c(-c3ccccc3)c(O)c12

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL1191185 0.87
SCHEMBL1040106 0.86
SCHEMBL1037494 0.84
SCHEMBL1190927 0.82
SCHEMBL1191219 0.77
SCHEMBL1191296 0.77
SCHEMBL1189118 0.76 PRKAG1 (0.57)
SCHEMBL1190425 0.75 ALDH1A1 (0.57)
SCHEMBL1191281 0.75 PRKAG1 (0.54)
SCHEMBL1189960 0.75 PRKAG1 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915150-B1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 2011-01-26 EP claimed
US-20090105293-A1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GESELLSCHAFT (DE) 2009-04-23 US claimed
EP-1915150-A1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Merck Patent GmbH (DE) 2008-04-30 EP claimed
WO-2007019914-A1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 2007-02-22 WO claimed
EP-1754483-A1 Use of thienopyridone derivatives as AMPK activators and pharmaceutical compositions containing them Merck Sante (FR) 2007-02-21 EP claimed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
EP-1915150-B1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 2011-01-26 EP disclosed
EP-1915150-B1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 2011-01-26 EP disclosed
US-20090105293-A1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GESELLSCHAFT (DE) 2009-04-23 US disclosed
US-20090105293-A1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GESELLSCHAFT (DE) 2009-04-23 US disclosed
US-20090105293-A1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GESELLSCHAFT (DE) 2009-04-23 US disclosed
WO-2007019914-A1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 2007-02-22 WO disclosed
EP-1754483-A1 Use of thienopyridone derivatives as AMPK activators and pharmaceutical compositions containing them Merck Sante (FR) 2007-02-21 EP disclosed
EP-1754483-A1 Use of thienopyridone derivatives as AMPK activators and pharmaceutical compositions containing them Merck Sante (FR) 2007-02-21 EP disclosed