SCHEMBL2367601

SCHEMBL2367601

Cc1ccc(-c2c[nH]nc2-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.61
ADORA2B P29275 5/20 0.61
ADORA3 P0DMS8 1/20 0.57
ADORA1 P30542 1/20 0.57
LMNA P02545 1/20 0.55
NT5E P21589 1/20 0.55
HIF1A Q16665 1/20 0.55

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
SCHEMBL1377204 1.00 ADORA2A (0.61) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL272584 1.00 ADORA2A (0.61) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL271777 0.92 ADORA2A (0.63) ADORA2AADORA2BADORA3ADORA1
SCHEMBL271079 0.92 ADORA2A (0.61) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL5386813 0.88 ADORA3 (0.58) ADORA2AADORA2BADORA3ADORA1
SCHEMBL3826172 0.86 ADORA2A (0.63) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL5397271 0.84 ADORA3 (0.60) ADORA2AADORA2BADORA3ADORA1
SCHEMBL3949601 0.82 ADORA1 (0.62) ADORA2AADORA2BADORA3ADORA1NT5E
SCHEMBL3947025 0.82 ADORA1 (0.62) ADORA2AADORA2BADORA3ADORA1NT5E
SCHEMBL5034539 0.82 ADORA1 (0.62) ADORA2AADORA2BADORA3ADORA1NT5E

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47351-E1 2-(N-pyrazolo)adenosines with application as adenosine A2A receptor agonists GILEAD SCIENCES, INC. (US) 2019-04-16 US disclosed
EP-1708721-B1 MYOCARDIAL PERFUSION IMAGING USING ADENOSINE RECEPTOR AGONISTS GILEAD SCIENCES INC (US) 2013-08-07 EP disclosed
EP-2366396-B1 Myocardial perfusion imaging using adenosine receptor agonists GILEAD SCIENCES INC (US) 2013-08-07 EP disclosed
EP-2056834-B1 METHODS AND COMPOSITIONS FOR INCREASING PATIENT TOLERABILITY DURING MYOCARDIAL IMAGING METHODS GILEAD SCIENCES INC (US) 2012-08-29 EP disclosed
EP-2366396-A1 Myocardial perfusion imaging using adenosine receptor agonists Gilead Palo Alto, Inc. (US) 2011-09-21 EP disclosed
US-7683037-B2 A2A receptor agonist; regadenoson (CVT-3146); produces coronary vasodilation without significant peripheral vasodilation; GILEAD PALO ALTO, INC. (US) 2010-03-23 US disclosed
EP-2099360-A2 MYOCARDIAL PERFUSION IMAGING CV Therapeutics Inc. (US) 2009-09-16 EP disclosed
US-20090081120-A1 Methods and Compositions for Increasing Patient Tolerability During Myocardial Imaging Methods CV THERAPEUTICS, INC. 2009-03-26 US disclosed
US-20080170990-A1 Methods for Myocardial Imaging in Patients Having a History of Pulmonary Disease CV THERAPEUTICS, INC. (US) 2008-07-17 US disclosed
WO-2008086096-A2 MYOCARDIAL PERFUSION IMAGING CV THERAPEUTICS, INC. (US) 2008-07-17 WO disclosed
EP-1708721-A1 MYOCARDIAL PERFUSION IMAGING USING ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2006-10-11 EP disclosed
WO-2005082379-A1 MYOCARDIAL PERFUSION IMAGING USING ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2005-09-09 WO disclosed
EP-1524984-A1 MYOCARDIAL PERFUSION IMAGING USING A2A RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2005-04-27 EP disclosed
US-20040064039-A1 Myocardial perfusion imaging method CV THERAPEUTICS 2004-04-01 US disclosed
US-20040038928-A1 N-pyrazole A2A receptor agonists CV THERAPEUTICS, INC. 2004-02-26 US disclosed
WO-2004011010-A1 MYOCARDIAL PERFUSION IMAGING USING A2A RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2004-02-05 WO disclosed
US-6403567-B1 N-pyrazole A2A adenosine receptor agonists CV THERAPEUTICS, INC. 2002-06-11 US 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 (3 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-20040038928-A1 N-pyrazole A2A receptor agonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA2B 5/4885ADORA3 2/4885
US-20080170990-A1 Methods for Myocardial Imaging in Patients Having a History of Pulmonary Disease ADORA2A, ADORA3, ADRB3 ADORA2A 1/4885ADORA2B 5/4885ADORA3 2/4885
US-20090081120-A1 Methods and Compositions for Increasing Patient Tolerability During Myocardial Imaging Methods ADORA2A, FABP3, ADORA3 ADORA2A 1/4885ADORA2B 9/4885ADORA3 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.