SCHEMBL272093

SCHEMBL272093

Nc1nc(-n2cc(N(C=O)Cc3ccc(Cl)cc3)cn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.69
ADORA1 P30542 4/20 0.58
ADORA3 P0DMS8 4/20 0.58
ADORA2B P29275 3/20 0.58
ADRA1A P35348 1/20 0.58

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
SCHEMBL6261318 0.89 ADORA3 (0.70) ADORA2AADORA1ADORA3
SCHEMBL271324 0.89 ADORA2A (0.70) ADORA2AADORA1ADORA3ADORA2BADRA1A
SCHEMBL2367515 0.89 ADORA2A (0.70) ADORA2AADORA1ADORA3ADORA2BADRA1A
SCHEMBL15158230 0.89 ADORA2A (0.70) ADORA2AADORA1ADORA3ADORA2BADRA1A
SCHEMBL3952808 0.84 ADORA3 (0.59) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL271016 0.84 ADORA2A (0.72) ADORA2AADORA1ADORA3ADORA2BADRA1A
SCHEMBL4539668 0.84 ADORA2A (0.72) ADORA2AADORA1ADORA3ADORA2BADRA1A
SCHEMBL15158228 0.84 ADORA2A (0.72) ADORA2AADORA1ADORA3ADORA2BADRA1A
SCHEMBL1985230 0.84 ADORA2A (0.64) ADORA2AADORA1ADORA3ADORA2BADRA1A
Water SCHEMBL489161 0.83 ADORA2A (0.71) ADORA2AADORA1ADORA3ADORA2BADRA1A

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-RE47351-E1 2-(N-pyrazolo)adenosines with application as adenosine A2A receptor agonists GILEAD SCIENCES, INC. (US) 2019-04-16 US claimed
EP-1189916-B1 N-PYRAZOLE A 2A RECEPTOR AGONISTS CV THERAPEUTICS INC (US) 2003-12-10 EP claimed
US-6642210-B1 Administering compound to mammal by intravenous bolus injection to stress heart and induce coronary steal situation, stimulating coronary vasodilation, in order to image heart CV THERAPEUTICS, INC. 2003-11-04 US claimed
US-RE47351-E1 2-(N-pyrazolo)adenosines with application as adenosine A2A receptor agonists GILEAD SCIENCES, INC. (US) 2019-04-16 US disclosed
US-9289446-B2 Myocardial perfusion imaging methods and compositions GILEAD SCIENCES, INC. (US) 2016-03-22 US disclosed
US-20160067271-A1 Methods And Compositions For Preventing Or Treating Obesity NORTHEASTERN UNIVERSITY 2016-03-10 US disclosed
US-20150283162-A1 MYOCARDIAL PERFUSION IMAGING METHODS AND COMPOSITIONS GILEAD PALO ALTO, INC. 2015-10-08 US disclosed
US-9045519-B2 N-pyrazole A2A receptor agonists GILEAD SCIENCES, INC. (US) 2015-06-02 US disclosed
US-8906878-B2 Myocardial perfusion imaging methods and compositions GILEAD SCIENCES, INC. (US) 2014-12-09 US disclosed
US-8883500-B2 Method of preparing adenosine-resistant anti-tumor T lymphocytes for adoptive immunotherapy NORTHEASTERN UNIVERSITY (US) 2014-11-11 US disclosed
US-20140073596-A1 N-Pyrazole A2A Receptor Agonists GILEAD SCIENCES, INC. (US) 2014-03-13 US disclosed
US-20080267861-A1 Myocardial Perfusion Imaging CV THERAPEUTICS, INC. (US) 2008-10-30 US disclosed
US-20080213165-A1 Methods and Compositions for Increasing Patent Tolerability During Myocardial Imaging Methods CV THERAPEUTICS, INC. 2008-09-04 US disclosed
US-20070203090-A1 N-pyrazole A2A receptor agonists CV THERAPEUTICS, INC. 2007-08-30 US disclosed
US-7183264-B2 N-pyrazole A2A receptor agonists CV THERAPEUTICS, INC. (US) 2007-02-27 US disclosed
US-7144872-B2 N-pyrazole A2A receptor agonists CV THERAPEUTICS, INC. (US) 2006-12-05 US disclosed
US-20060052332-A1 N-pyrazole A2A receptor agonists CV THERAPEUTICS, INC. 2006-03-09 US disclosed
US-20050020915-A1 Myocardial perfusion imaging methods and compositions CV THERAPEUTICS, INC. 2005-01-27 US disclosed
EP-1189916-B1 N-PYRAZOLE A 2A RECEPTOR AGONISTS CV THERAPEUTICS INC (US) 2003-12-10 EP disclosed
US-6642210-B1 Administering compound to mammal by intravenous bolus injection to stress heart and induce coronary steal situation, stimulating coronary vasodilation, in order to image heart CV THERAPEUTICS, INC. 2003-11-04 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 (8 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 1/4885ADORA1 3/4885ADORA3 2/4885
US-20050020915-A1 Myocardial perfusion imaging methods and compositions ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA3 2/4885
US-20140073596-A1 N-Pyrazole A2A Receptor Agonists ADORA2A, ADORA3, TBXA2R ADORA2A 1/4885ADORA1 4/4885ADORA3 2/4885
US-20080267861-A1 Myocardial Perfusion Imaging TNNI3, FLT4, FABP3 ADORA2A 100/4885ADORA1 147/4885ADORA3 54/4885
US-20060052332-A1 N-pyrazole A2A receptor agonists ADORA2A, ADORA3, TBXA2R ADORA2A 1/4885ADORA1 4/4885ADORA3 2/4885
US-20080213165-A1 Methods and Compositions for Increasing Patent Tolerability During Myocardial Imaging Methods ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA3 2/4885
US-20160067271-A1 Methods And Compositions For Preventing Or Treating Obesity ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA3 2/4885
US-20070203090-A1 N-pyrazole A2A receptor agonists ADORA2A, ADORA3, TBXA2R ADORA2A 1/4885ADORA1 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.