SCHEMBL2290571

SCHEMBL2290571

CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CCc2ccc(N)c(I)c2)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.77
ADORA2B P29275 5/20 0.77
ADORA1 P30542 8/20 0.66
ADORA3 P0DMS8 2/20 0.66
MEN1 O00255 1/20 0.66
GMNN O75496 1/20 0.66
LMNA P02545 1/20 0.66
CYP1A2 P05177 1/20 0.66
TSHR P16473 1/20 0.66
PMP22 Q01453 1/20 0.66
KMT2A Q03164 1/20 0.66
HIF1A Q16665 1/20 0.66

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
SCHEMBL787893 0.87 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3MEN1
SCHEMBL8576945 0.83 ADORA2A (0.82) ADORA2AADORA2BADORA1ADORA3MEN1
SCHEMBL8580754 0.83 ADORA3 (0.85) ADORA2AADORA2BADORA1ADORA3MEN1
SCHEMBL8575307 0.82 ADORA2A (0.80) ADORA2AADORA2BADORA1ADORA3MEN1
SCHEMBL2290567 0.82 ADORA1 (0.57) ADORA2AADORA2BADORA1ADORA3MEN1
SCHEMBL8576983 0.81 ADORA2A (0.79) ADORA2AADORA2BADORA1ADORA3MEN1
1,3-Dipropyl-8-Cyclopentylxanthine [Dpcpx] SCHEMBL382422 0.81 ADORA1 (1.00) ADORA2AADORA2BADORA1ADORA3MEN1
SCHEMBL4623484 0.80 ADORA1 (1.00) ADORA2AADORA2BADORA1ADORA3MEN1
SCHEMBL9402220 0.79 ADORA2B (0.74) ADORA2AADORA2BADORA1ADORA3MEN1
SCHEMBL8576751 0.79 ADORA2A (0.74) ADORA2AADORA2BADORA1ADORA3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110189255-A1 DRUG-ELUTING STENTS FOR ADENOSINE RECEPTOR MODULATION PURDUE RESEARCH FOUNDATION 2011-08-04 US claimed
EP-1014995-A4 COMPOSITIONS AND METHODS FOR PREVENTING RESTENOSIS FOLLOWING REVASCULARIZATION PROCEDURES ADERIS PHARMACEUTICALS INC (US) 2005-02-16 EP claimed
US-6372723-B1 Compositions and methods for preventing restenosis following revascularization procedures DISCOVERY THERAPEUTICS, INC. 2002-04-16 US claimed
JP-2002505687-A 2002-02-19 JP claimed
US-6339072-B2 Compositions and methods for preventing restenosis following revascularization procedures DISCOVERY THERAPEUTICS INC. 2002-01-15 US claimed
US-20010009907-A1 Compositions and methods for preventing restenosis following revascularization procedures DISCOVERY THERAPEUTICS, INC. 2001-07-26 US claimed
EP-1014995-A1 COMPOSITIONS AND METHODS FOR PREVENTING RESTENOSIS FOLLOWING REVASCULARIZATION PROCEDURES Discovery Therapeutics, Inc. (US) 2000-07-05 EP claimed
WO-1998057651-A1 COMPOSITIONS AND METHODS FOR PREVENTING RESTENOSIS FOLLOWING REVASCULARIZATION PROCEDURES DISCOVERY THERAPEUTICS, INC. (US) 1998-12-23 WO claimed
US-5504090-A Compositions and methods for the prevention and treatment of ischemia-reperfusion organ injury TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1996-04-02 US claimed
US-9414901-B2 Drug-eluting stents for adenosine receptor modulation INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-08-16 US disclosed
US-20110189255-A1 DRUG-ELUTING STENTS FOR ADENOSINE RECEPTOR MODULATION PURDUE RESEARCH FOUNDATION 2011-08-04 US disclosed
EP-0755254-B1 PREVENTION AND TREATMENT OF ISCHEMIA-REPERFUSION AND ENDOTOXIN-RELATED INJURY USING ADENOSINE AND PURINO RECEPTOR ANTAGONISTS UNIV PENNSYLVANIA (US) 2005-05-18 EP disclosed
WO-2003103675-A2 COMBINATION TREATMENTS FOR PURINOCEPTOR-RELATED DISORDERS ENDACEA, INC. (US) 2003-12-18 WO disclosed
US-6372723-B1 Compositions and methods for preventing restenosis following revascularization procedures DISCOVERY THERAPEUTICS, INC. 2002-04-16 US disclosed
EP-0755254-A1 PREVENTION AND TREATMENT OF ISCHEMIA-REPERFUSION AND ENDOTOXIN-RELATED INJURY USING ADENOSINE AND PURINO RECEPTOR ANTAGONISTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1997-01-29 EP disclosed
EP-0689405-A4 METHODS FOR PROTECTING TISSUES AND ORGANS FROM ISCHEMIC DAMAGE GENSIA INC (US) 1996-09-11 EP disclosed
US-5504090-A Compositions and methods for the prevention and treatment of ischemia-reperfusion organ injury TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1996-04-02 US disclosed
EP-0689405-A1 METHODS FOR PROTECTING TISSUES AND ORGANS FROM ISCHEMIC DAMAGE GENSIA, INC. (US) 1996-01-03 EP disclosed
WO-1995026728-A1 PREVENTION AND TREATMENT OF ISCHEMIA-REPERFUSION AND ENDOTOXIN-RELATED INJURY USING ADENOSINE AND PURINO RECEPTOR ANTAGONISTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1995-10-12 WO disclosed
WO-1994021195-A1 METHODS FOR PROTECTING TISSUES AND ORGANS FROM ISCHEMIC DAMAGE GENSIA, INC. (US) 1994-09-29 WO disclosed