SCHEMBL6154374

SCHEMBL6154374

CCCn1c(C2CCCC2)nc2c(=O)[nH]c(=O)n(CCc3ccc(N)c(I)c3)c21

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 0.43
ADORA2A P29274 7/20 0.43
ADORA1 P30542 2/20 0.40
KMT2A Q03164 2/20 0.38
ADORA3 P0DMS8 3/20 0.35
GAA P10253 1/20 0.33

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
SCHEMBL8355410 0.78 KMT2A (0.60) ADORA2BADORA2AADORA1KMT2AADORA3
SCHEMBL8358874 0.77 KMT2A (0.59) ADORA2BADORA2AADORA1KMT2AADORA3
SCHEMBL9170314 0.76 ADORA1 (0.47) ADORA2BADORA2AADORA1KMT2AADORA3
SCHEMBL2290571 0.74 ADORA2A (0.77) ADORA2BADORA2AADORA1KMT2AADORA3
SCHEMBL8578047 0.74 ADORA1 (0.47) ADORA2BADORA2AADORA1KMT2AADORA3
SCHEMBL8358348 0.67 ADORA1 (0.46) ADORA2BADORA2AADORA1KMT2AADORA3
SCHEMBL4419731 0.66 TSHR (0.44) ADORA2BADORA2AKMT2AGAA
SCHEMBL4413118 0.65 KDM1A (0.41) ADORA2BADORA2AKMT2A
SCHEMBL9168640 0.64 KMT2A (0.74) ADORA2BADORA2AADORA1KMT2AADORA3
SCHEMBL9173649 0.61 KMT2A (0.52) ADORA2BADORA2AADORA1KMT2A

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-1014995-A4 COMPOSITIONS AND METHODS FOR PREVENTING RESTENOSIS FOLLOWING REVASCULARIZATION PROCEDURES ADERIS PHARMACEUTICALS INC (US) 2005-02-16 EP claimed
JP-2002505687-A 2002-02-19 JP 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
WO-2003103675-A2 COMBINATION TREATMENTS FOR PURINOCEPTOR-RELATED DISORDERS ENDACEA, INC. (US) 2003-12-18 WO disclosed
EP-0755254-A4 PREVENTION AND TREATMENT OF ISCHEMIA-REPERFUSION AND ENDOTOXIN-RELATED INJURY USING ADENOSINE AND PURINO RECEPTOR ANTAGONISTS UNIV PENNSYLVANIA (US) 2002-01-16 EP disclosed
EP-1044003-A4 COMPOSITIONS AND METHODS FOR USE IN ISCHEMIA-REPERFUSION AND ENDOTOXIN-RELATED TISSUE INJURY UNIV PENNSYLVANIA (US) 2000-12-27 EP disclosed
EP-1044003-A1 COMPOSITIONS AND METHODS FOR USE IN ISCHEMIA-REPERFUSION AND ENDOTOXIN-RELATED TISSUE INJURY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2000-10-18 EP disclosed
WO-1999034803-A1 COMPOSITIONS AND METHODS FOR USE IN ISCHEMIA-REPERFUSION AND ENDOTOXIN-RELATED TISSUE INJURY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1999-07-15 WO 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
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