SCHEMBL2294338

SCHEMBL2294338

Nc1nc(OCCc2ccc(F)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 18/20 1.00
▸ ADORA2B P29275 13/20 1.00
▸ ADORA1 P30542 8/20 1.00
▸ ADORA3 P0DMS8 7/20 1.00

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
SCHEMBL29464982 1.00 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
SCHEMBL2294321 1.00 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
SCHEMBL8111704 0.94 ADORA2A (0.88) ADORA2AADORA2BADORA1ADORA3
SCHEMBL8111713 0.94 ADORA2A (0.88) ADORA2AADORA2BADORA1ADORA3
SCHEMBL8111385 0.93 ADORA2A (0.86) ADORA2AADORA2BADORA1ADORA3
SCHEMBL8111379 0.93 ADORA2A (0.86) ADORA2AADORA2BADORA1ADORA3
Sonedenoson SCHEMBL23898701 0.92 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
SCHEMBL7757379 0.92 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
SCHEMBL2296477 0.92 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
Sonedenoson SCHEMBL13010610 0.92 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3

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 33 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-0515514-B1 2-ARALKOXY AND 2-ALKOXY ADENOSINE DERIVATIVES AS CORONARY VASODILATORS AND ANTIHYPERTENSIVE AGENTS DISCOVERY THERAPEUTICS INC (US) 2000-08-30 — — EP claimed
EP-1014995-A1 COMPOSITIONS AND METHODS FOR PREVENTING RESTENOSIS FOLLOWING REVASCULARIZATION PROCEDURES Discovery Therapeutics, Inc. (US) 2000-07-05 — — EP claimed
US-RE36494-E 2-aralkoxy and 2-alkoxy adenosine derivatives as coronary vasodilators and antihypertensive agents DISCOVERY THERAPEUTICS, INC. (US) 2000-01-11 — — US claimed
WO-1998057651-A1 COMPOSITIONS AND METHODS FOR PREVENTING RESTENOSIS FOLLOWING REVASCULARIZATION PROCEDURES DISCOVERY THERAPEUTICS, INC. (US) 1998-12-23 — — WO claimed
EP-0515514-A4 2-ARALKOXY AND 2-ALKOXY ADENOSINE DERIVATIVES AS CORONARY VASODILATORS AND ANTIHYPERTENSIVE AGENTS — 1993-01-13 — — EP claimed
EP-0515514-A1 2-ARALKOXY AND 2-ALKOXY ADENOSINE DERIVATIVES AS CORONARY VASODILATORS AND ANTIHYPERTENSIVE AGENTS WHITBY RESEARCH, Inc. (US) 1992-12-02 — — EP claimed
US-5140015-A Racemic mixture for inducing an adenosine response in humans and animals WHITBY RESEARCH, INC. (US) 1992-08-18 — — US claimed
WO-1991013082-A1 2-ARALKOXY AND 2-ALKOXY ADENOSINE DERIVATIVES AS CORONARY VASODILATORS AND ANTIHYPERTENSIVE AGENTS WHITBY RESEARCH, INC. (US) 1991-09-05 — — 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-5140015-A Racemic mixture for inducing an adenosine response in humans and animals WHITBY RESEARCH, INC. (US) 1992-08-18 — — US disclosed
WO-1991013082-A1 2-ARALKOXY AND 2-ALKOXY ADENOSINE DERIVATIVES AS CORONARY VASODILATORS AND ANTIHYPERTENSIVE AGENTS WHITBY RESEARCH, INC. (US) 1991-09-05 — — 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 1/4885ADORA2B 3/4885ADORA1 2/4885

“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.

Send feedback