SCHEMBL465954

SCHEMBL465954

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.56
ADORA2B P29275 6/20 0.56
ADORA3 P0DMS8 2/20 0.55
ADORA1 P30542 1/20 0.55
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
Water SCHEMBL3630434 0.99 ADORA2A (0.55) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL725880 0.92 ADORA2A (0.57) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL7394674 0.85 ADORA2A (0.56) ADORA2AADORA2BADORA3ADORA1
SCHEMBL723979 0.85 ADORA2A (0.62) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL5034068 0.85 ADORA3 (0.59) ADORA2AADORA2BADORA3ADORA1HIF1A
SCHEMBL5040344 0.84 ADORA3 (0.59) ADORA2AADORA2BADORA3ADORA1NT5E
SCHEMBL5034070 0.84 ADORA3 (0.58) ADORA2AADORA2BADORA3ADORA1
SCHEMBL723276 0.84 ADORA2A (0.56) ADORA2AADORA2BADORA3ADORA1
SCHEMBL22567702 0.83 ADORA2A (0.56) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL5034544 0.82 ADORA1 (0.61) ADORA2AADORA2BADORA3ADORA1NT5E

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158208-A1 PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS CV Therapeutics Inc. (US) 2010-03-03 EP claimed
WO-2008143667-A1 PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS CV THERAPEUTICS, INC. (US) 2008-11-27 WO claimed
EP-1989214-A1 PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS CV THERAPEUTICS, INC. (US) 2008-11-12 EP claimed
WO-2007092372-A1 PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS CV THERAPEUTICS, INC. (US) 2007-08-16 WO claimed
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-2344145-A1 COMBINATIONS OF A RATE CONTROL AGENT AND AN A-2-ALPHA RECEPTOR ANTAGONIST FOR USE IN MULTIDETECTOR COMPUTED TOMOGRAPHY METHODS Gilead Sciences, Inc. (US) 2011-07-20 EP disclosed
WO-2010037122-A1 COMBINATIONS OF A RATE CONTROL AGENT AND AN A-2-ALPHA RECEPTOR ANTAGONIST FOR USE IN MULTIDETECTOR COMPUTED TOMOGRAPHY METHODS GILEAD PALO ALTO, INC. (US) 2010-04-01 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-2099360-A2 MYOCARDIAL PERFUSION IMAGING CV Therapeutics Inc. (US) 2009-09-16 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-2008086096-A2 MYOCARDIAL PERFUSION IMAGING CV THERAPEUTICS, INC. (US) 2008-07-17 WO 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-1189916-A2 N-PYRAZOLE A 2A RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2002-03-27 EP disclosed
WO-2000078779-A2 N-PYRAZOLE A2A RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2000-12-28 WO disclosed