SCHEMBL272915

SCHEMBL272915

Nc1nc(-c2cn[nH]c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.68
ADORA2B P29275 8/20 0.67
ADORA3 P0DMS8 1/20 0.64
ADORA1 P30542 1/20 0.64
LMNA P02545 1/20 0.63
NT5E P21589 1/20 0.63
HIF1A Q16665 1/20 0.63

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
SCHEMBL13437799 1.00 ADORA2A (0.68) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL13403870 1.00 ADORA2A (0.68) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL3423089 0.82 ADORA2A (0.68) ADORA2AADORA2BADORA3ADORA1
SCHEMBL2774718 0.82 LMNA (0.72) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL272005 0.82 ADORA2A (0.78) ADORA2ALMNANT5EHIF1A
SCHEMBL13437722 0.82 ADORA2A (0.78) ADORA2ALMNANT5EHIF1A
SCHEMBL13403866 0.82 ADORA2A (0.78) ADORA2ALMNANT5EHIF1A
SCHEMBL7027258 0.81 LMNA (0.64) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL4349253 0.81 LMNA (0.70) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL7027272 0.81 LMNA (0.64) ADORA2AADORA2BADORA3ADORA1LMNA

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192169-B1 C-PYRAZOLE A2A RECEPTOR AGONISTS CV THERAPEUTICS INC (US) 2003-05-14 EP claimed
US-20010018428-A1 C-pyrazole A2A receptor agonists CV THERAPEUTICS, INC. 2001-08-30 US claimed
US-6214807-B1 IMAGES AND CARDIOVASCULAR DISORDERS CV THERAPEUTICS, INC. 2001-04-10 US claimed
US-9289446-B2 Myocardial perfusion imaging methods and compositions GILEAD SCIENCES, INC. (US) 2016-03-22 US disclosed
US-20150283162-A1 MYOCARDIAL PERFUSION IMAGING METHODS AND COMPOSITIONS GILEAD PALO ALTO, INC. 2015-10-08 US disclosed
US-8906878-B2 Myocardial perfusion imaging methods and compositions GILEAD SCIENCES, INC. (US) 2014-12-09 US disclosed
US-20130343987-A1 MYOCARDIAL PERFUSION IMAGING METHODS AND COMPOSITIONS GILEAD SCIENCES, INC. (US) 2013-12-26 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
US-8470801-B2 Myocardial perfusion imaging methods and compositions GILEAD SCIENCES, INC. (US) 2013-06-25 US disclosed
EP-2056834-B1 METHODS AND COMPOSITIONS FOR INCREASING PATIENT TOLERABILITY DURING MYOCARDIAL IMAGING METHODS GILEAD SCIENCES INC (US) 2012-08-29 EP disclosed
US-20040198692-A1 C-pyrazole A2A receptor agonists CV THERAPEUTICS, INC. 2004-10-07 US disclosed
US-6770634-B1 STIMULATE MAMMALIAN CORONARY VASODILATATION FOR THERAPEUTIC PURPOSES AND IMAGING THE HEART CV THERAPEUTICS, INC. 2004-08-03 US disclosed
US-20040064039-A1 Myocardial perfusion imaging method CV THERAPEUTICS 2004-04-01 US disclosed
WO-2004011010-A1 MYOCARDIAL PERFUSION IMAGING USING A2A RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2004-02-05 WO disclosed
EP-1192169-B1 C-PYRAZOLE A2A RECEPTOR AGONISTS CV THERAPEUTICS INC (US) 2003-05-14 EP disclosed
EP-1192169-A2 C-PYRAZOLE A2A RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2002-04-03 EP disclosed
US-20010018428-A1 C-pyrazole A2A receptor agonists CV THERAPEUTICS, INC. 2001-08-30 US disclosed
US-6214807-B1 IMAGES AND CARDIOVASCULAR DISORDERS CV THERAPEUTICS, INC. 2001-04-10 US disclosed
WO-2000078778-A2 C-PYRAZOLE A2A RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2000-12-28 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 (4 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-20150283162-A1 MYOCARDIAL PERFUSION IMAGING METHODS AND COMPOSITIONS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA2B 4/4885ADORA3 2/4885
US-20040198692-A1 C-pyrazole A2A receptor agonists ADORA2A, ADORA3, TBXA2R ADORA2A 1/4885ADORA2B 5/4885ADORA3 2/4885
US-20010018428-A1 C-pyrazole A2A receptor agonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA2B 6/4885ADORA3 2/4885
US-20130343987-A1 MYOCARDIAL PERFUSION IMAGING METHODS AND COMPOSITIONS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA2B 4/4885ADORA3 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.