SCHEMBL939554

SCHEMBL939554

Nc1nc(N/N=C/C2CC=CCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.80
ADORA1 P30542 11/20 0.80
ADORA2B P29275 1/20 0.62

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
SCHEMBL939556 1.00 ADORA2A (0.80) ADORA2AADORA1ADORA2B
SCHEMBL939559 1.00 ADORA2A (0.80) ADORA2AADORA1ADORA2B
SCHEMBL9346051 0.89 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL9346065 0.89 ADORA2A (1.00) ADORA2AADORA1ADORA2B
Binodenoson SCHEMBL23898649 0.88 ADORA2A (0.98) ADORA2AADORA1ADORA2B
Binodenoson SCHEMBL13259764 0.88 ADORA2A (0.98) ADORA2AADORA1ADORA2B
Binodenoson SCHEMBL724955 0.88 ADORA2A (0.98) ADORA2AADORA1ADORA2B
Binodenoson SCHEMBL940135 0.88 ADORA2A (0.98) ADORA2AADORA1ADORA2B
Binodenoson SCHEMBL724956 0.88 ADORA2A (0.98) ADORA2AADORA1ADORA2B
Binodenoson SCHEMBL12877884 0.88 ADORA2A (0.98) ADORA2AADORA1ADORA2B

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 25 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-20110002843-A1 METHOD OF DETECTING MYOCARDIAL DYSFUNCTION IN PATIENTS HAVING A HISTORY OF ASTHMA OR BRONCHOSPASM BARRETT RICHARD J 2011-01-06 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
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 (2 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-20110002843-A1 METHOD OF DETECTING MYOCARDIAL DYSFUNCTION IN PATIENTS HAVING A HISTORY OF ASTHMA OR BRONCHOSPASM TNNI3, BDKRB2, BDKRB1 ADORA2A 293/4885ADORA1 362/4885ADORA2B 60/4885
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.