SCHEMBL243306

SCHEMBL243306

CCCn1c(=O)c2c(nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)n2COP(=O)(O)O)n(CC)c1=O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 20/20 0.62
ADORA2A P29274 17/20 0.62
ADORA1 P30542 16/20 0.62
ADORA3 P0DMS8 11/20 0.62
PLK4 O00444 1/20 0.62
CDK2 P24941 1/20 0.62
IRAK1 P51617 1/20 0.62
RPS6KA3 P51812 1/20 0.62
PLK3 Q9H4B4 1/20 0.62
CSNK1G3 Q9Y6M4 1/20 0.62

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
SCHEMBL21343038 0.94 ADORA2B (0.59) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL29399586 0.94 ADORA2B (0.59) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL3219385 0.93 ADORA2B (0.59) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL3219379 0.92 ADORA2B (0.57) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL21343076 0.90 ADORA2B (0.66) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL21343071 0.90 ADORA2B (0.65) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL242945 0.89 ADORA2B (0.62) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL21343680 0.89 ADORA2B (0.68) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL838239 0.89 ADORA2B (0.62) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL21343082 0.89 ADORA2B (0.62) ADORA2BADORA2AADORA1ADORA3PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595630-A1 USE OF A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING PULMONARY HYPERTENSION Gilead Sciences, Inc. (US) 2013-05-29 EP claimed
US-20120220608-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. 2012-08-30 US claimed
US-20120003329-A1 Use of A2B Adenosine Receptor Antagonists for Treating Pulmonary Hypertension GILEAD SCIENCES, INC. 2012-01-05 US claimed
WO-2012003220-A1 USE OF A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING PULMONARY HYPERTENSION GILEAD SCIENCES, INC. (US) 2012-01-05 WO claimed
US-20110184002-A1 METHOD OF TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2011-07-28 US claimed
US-20100056538-A1 Pro-drugs of A2B Adenosine Receptor Antagonists GILEAD PALO ALTO, INC. (US) 2010-03-04 US claimed
US-7625881-B2 Prodrugs of A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. (US) 2009-12-01 US claimed
EP-1996201-A2 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2008-12-03 EP claimed
EP-1891070-A1 PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2008-02-27 EP claimed
WO-2007109547-A2 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2007-09-27 WO claimed
US-20070219221-A1 administration of therapeutically effective amount of 3-ethyl-1-propyl-8-(1-{[3-(trifluoromethyl)phenyl]methyl}pyrazol-4-yl)-1,3,7-trihydropurine-2,6-dione, wherein hepatic disease is selected from necrosis, fibrosis, cholestasis, cirrhosis, viral and alcoholic hepatitis, ingestion of hepatotoxic drugs GILEAD SCIENCES, INC. 2007-09-20 US claimed
WO-2006138376-A1 PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-12-28 WO claimed
US-20060293283-A1 Prodrugs of A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2006-12-28 US claimed
EP-3103454-A1 USE OF A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING HEART FAILURE AND ARRHYTHMIA IN POST-MYOCARDIAL INFARCTION PATIENTS Gilead Sciences, Inc. (US) 2016-12-14 EP disclosed
US-20140243358-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2014-08-28 US disclosed
EP-2694074-A1 USE OF A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING HEART FAILURE AND ARRHYTHMIA IN POST-MYOCARDIAL INFARCTION PATIENTS Gilead Sciences, Inc. (US) 2014-02-12 EP disclosed
US-20070219221-A1 administration of therapeutically effective amount of 3-ethyl-1-propyl-8-(1-{[3-(trifluoromethyl)phenyl]methyl}pyrazol-4-yl)-1,3,7-trihydropurine-2,6-dione, wherein hepatic disease is selected from necrosis, fibrosis, cholestasis, cirrhosis, viral and alcoholic hepatitis, ingestion of hepatotoxic drugs GILEAD SCIENCES, INC. 2007-09-20 US disclosed
WO-2006138376-A1 PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-12-28 WO disclosed
WO-2006138376-A1 PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-12-28 WO disclosed
US-20060293283-A1 Prodrugs of A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2006-12-28 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 (7 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-20140243358-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA2A 2/4885ADORA1 3/4885
US-20120003329-A1 Use of A2B Adenosine Receptor Antagonists for Treating Pulmonary Hypertension ADORA2B, ADORA2A, TBXA2R ADORA2B 1/4885ADORA2A 2/4885ADORA1 4/4885
US-20070219221-A1 administration of therapeutically effective amount of 3-ethyl-1-propyl-8-(1-{[3-(trifluoromethyl)phenyl]methyl}pyrazol-4-yl)-1,3,7-trihydropurine-2,6-dione, wherein hepatic disease is selected from necrosis, fibrosis, cholestasis, cirrhosis, viral and alcoholic hepatitis, ingestion of hepatotoxic drugs ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA2A 2/4885ADORA1 3/4885
US-20100056538-A1 Pro-drugs of A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA2A 2/4885ADORA1 3/4885
US-20120220608-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA2A 2/4885ADORA1 3/4885
US-20110184002-A1 METHOD OF TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA2A 2/4885ADORA1 3/4885
US-20060293283-A1 Prodrugs of A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA2A 2/4885ADORA1 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.