SCHEMBL2297078

SCHEMBL2297078

CC(C)/C=N/Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.75
ADORA1 P30542 10/20 0.75
ADORA2B P29275 1/20 0.70

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
SCHEMBL7763845 0.89 ADORA2A (0.82) ADORA2AADORA1ADORA2B
SCHEMBL938988 0.88 ADORA2A (0.70) ADORA2AADORA1ADORA2B
SCHEMBL938990 0.88 ADORA2A (0.70) ADORA2AADORA1ADORA2B
SCHEMBL938991 0.88 ADORA2A (0.70) ADORA2AADORA1ADORA2B
SCHEMBL966386 0.84 ADORA2A (0.83) ADORA2AADORA1
SCHEMBL940874 0.84 ADORA2A (0.81) ADORA2AADORA1ADORA2B
SCHEMBL940871 0.84 ADORA2A (0.81) ADORA2AADORA1ADORA2B
SCHEMBL940872 0.84 ADORA2A (0.81) ADORA2AADORA1ADORA2B
SCHEMBL966384 0.84 ADORA2A (0.83) ADORA2AADORA1
SCHEMBL966388 0.84 ADORA2A (0.83) ADORA2AADORA1

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 21 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
US-20100272711-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF CARDIOVASCULAR DISEASES THOMAS JEFFERSON UNIVERSITY (US) 2010-10-28 US claimed
WO-2009076580-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF CARDIOVASCULAR DISEASES THOMAS JEFFERSON UNIVERSITY (US) 2009-06-18 WO 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-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
US-20100272711-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF CARDIOVASCULAR DISEASES THOMAS JEFFERSON UNIVERSITY (US) 2010-10-28 US disclosed
WO-2009076580-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF CARDIOVASCULAR DISEASES THOMAS JEFFERSON UNIVERSITY (US) 2009-06-18 WO disclosed
WO-2007134271-A2 METHOD AND APPARATUS FOR REDUCING INJURY FROM ACUTE MYOCARDIAL INFARCTION INNOVATIONAL HOLDINGS LLC (US) 2007-11-22 WO disclosed
US-6372723-B1 Compositions and methods for preventing restenosis following revascularization procedures DISCOVERY THERAPEUTICS, INC. 2002-04-16 US disclosed
US-6339072-B2 Compositions and methods for preventing restenosis following revascularization procedures DISCOVERY THERAPEUTICS INC. 2002-01-15 US disclosed
US-20010009907-A1 Compositions and methods for preventing restenosis following revascularization procedures DISCOVERY THERAPEUTICS, INC. 2001-07-26 US disclosed
EP-1014995-A1 COMPOSITIONS AND METHODS FOR PREVENTING RESTENOSIS FOLLOWING REVASCULARIZATION PROCEDURES Discovery Therapeutics, Inc. (US) 2000-07-05 EP disclosed
WO-1998057651-A1 COMPOSITIONS AND METHODS FOR PREVENTING RESTENOSIS FOLLOWING REVASCULARIZATION PROCEDURES DISCOVERY THERAPEUTICS, INC. (US) 1998-12-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100272711-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF CARDIOVASCULAR DISEASES ADORA2A, ADORA1, ADORA2B ADORA2A 1/4885ADORA1 2/4885ADORA2B 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.