SCHEMBL272622

SCHEMBL272622

CCCn1cc(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cn1

nearest known ligand 0.89

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.89
ADORA3 P0DMS8 1/20 0.60
ADORA2B P29275 1/20 0.60

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
SCHEMBL2367743 1.00 ADORA2A (0.89) ADORA2AADORA3ADORA2B
SCHEMBL12003052 0.94 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL4329020 0.94 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL4065444 0.94 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL278643 0.94 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL13403865 0.94 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL7804687 0.94 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL13437816 0.94 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL272524 0.94 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL13403872 0.93 ADORA2A (0.98) ADORA2AADORA3ADORA2B

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 30 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-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
US-20120195827-A1 MYOCARDIAL PERFUSION IMAGING METHODS AND COMPOSITIONS GILEAD SCIENCE, INC. 2012-08-02 US disclosed
US-8183226-B2 Myocardial perfusion imaging method GILEAD SCIENCES, INC. (US) 2012-05-22 US disclosed
US-7109180-B2 C-pyrazole A2A receptor agonists CV THERAPEUTICS, INC. (US) 2006-09-19 US disclosed
US-6855818-B2 C-pyrazole A2A receptor agonists CV THERAEPUTICS, INC. (US) 2005-02-15 US disclosed
US-20050020915-A1 Myocardial perfusion imaging methods and compositions CV THERAPEUTICS, INC. 2005-01-27 US 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
EP-1192169-B1 C-PYRAZOLE A2A RECEPTOR AGONISTS CV THERAPEUTICS INC (US) 2003-05-14 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

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

For each of this compound's patents that has machine-readable text (6 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 1/4885ADORA3 2/4885ADORA2B 4/4885
US-20040198692-A1 C-pyrazole A2A receptor agonists ADORA2A, ADORA3, TBXA2R ADORA2A 1/4885ADORA3 2/4885ADORA2B 5/4885
US-20050020915-A1 Myocardial perfusion imaging methods and compositions ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885ADORA2B 4/4885
US-20010018428-A1 C-pyrazole A2A receptor agonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885ADORA2B 6/4885
US-20120195827-A1 MYOCARDIAL PERFUSION IMAGING METHODS AND COMPOSITIONS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885ADORA2B 4/4885
US-20130343987-A1 MYOCARDIAL PERFUSION IMAGING METHODS AND COMPOSITIONS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885ADORA2B 4/4885

“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.