SCHEMBL725702

SCHEMBL725702

CCOC(=O)c1c[nH]nc1-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.63
ADORA2B P29275 6/20 0.60
ADORA3 P0DMS8 1/20 0.60
ADORA1 P30542 1/20 0.60
LMNA P02545 1/20 0.54
NT5E P21589 1/20 0.54
HIF1A Q16665 1/20 0.54

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
SCHEMBL3422920 0.89 ADORA2A (0.58) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL3422427 0.89 ADORA2A (0.66) ADORA2AADORA2BADORA3ADORA1
SCHEMBL723979 0.88 ADORA2A (0.62) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL5032114 0.85 ADORA3 (0.66) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5040335 0.84 ADORA3 (0.67) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5038188 0.84 ADORA3 (0.59) ADORA2AADORA2BADORA3ADORA1NT5E
SCHEMBL5032117 0.84 ADORA3 (0.67) ADORA2AADORA2BADORA3ADORA1
SCHEMBL489246 0.82 ADORA3 (0.46) ADORA2AADORA2BADORA3ADORA1
SCHEMBL2876335 0.82 ADORA3 (0.46) ADORA2AADORA2BADORA3ADORA1
SCHEMBL489420 0.82 ADORA3 (0.46) ADORA2AADORA2BADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2608794-A1 METHODS AND COMPOSITIONS FOR PREVENTING OR TREATING OBESITY Northeastern University (US) 2013-07-03 EP disclosed
WO-2012027695-A1 METHODS AND COMPOSITIONS FOR PREVENTING OR TREATING OBESITY NORTHEASTERN UNIVERSITY (US) 2012-03-01 WO disclosed
EP-2158208-A1 PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS CV Therapeutics Inc. (US) 2010-03-03 EP disclosed
EP-2066232-A1 METHODS FOR MYOCARDIAL IMAGING IN PATIENTS HAVING A HISTORY OF PULMONARY DISEASE CV THERAPEUTICS, INC. (US) 2009-06-10 EP disclosed
EP-2056834-A1 METHODS AND COMPOSITIONS FOR INCREASING PATIENT TOLERABILITY DURING MYOCARDIAL IMAGING METHODS CV THERAPEUTICS, INC. (US) 2009-05-13 EP disclosed
WO-2008143667-A1 PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS CV THERAPEUTICS, INC. (US) 2008-11-27 WO disclosed
EP-1989214-A1 PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS CV THERAPEUTICS, INC. (US) 2008-11-12 EP disclosed
WO-2008042796-A2 METHODS FOR MYOCARDIAL IMAGING IN PATIENTS HAVING A HISTORY OF PULMONARY DISEASE CV THERAPEUTICS, INC. (US) 2008-04-10 WO disclosed
WO-2008028140-A1 METHODS AND COMPOSITIONS FOR INCREASING PATIENT TOLERABILITY DURING MYOCARDIAL IMAGING METHODS CV THERAPEUTICS, INC. (US) 2008-03-06 WO disclosed
WO-2007092372-A1 PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS CV THERAPEUTICS, INC. (US) 2007-08-16 WO disclosed
EP-1708721-A1 MYOCARDIAL PERFUSION IMAGING USING ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2006-10-11 EP disclosed
WO-2005082379-A1 MYOCARDIAL PERFUSION IMAGING USING ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2005-09-09 WO disclosed
EP-1524984-A1 MYOCARDIAL PERFUSION IMAGING USING A2A RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2005-04-27 EP disclosed
WO-2004011010-A1 MYOCARDIAL PERFUSION IMAGING USING A2A RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2004-02-05 WO disclosed