SCHEMBL243737

SCHEMBL243737

CCCn1c(=O)c2[nH]c(-c3cnn(C(C)c4cccc(C(F)(F)F)c4)c3)nc2n(CCC)c1=O

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 19/20 0.70
ADORA1 P30542 10/20 0.70
ADORA2A P29274 9/20 0.70
ADORA3 P0DMS8 7/20 0.70
PLK4 O00444 1/20 0.67
CDK2 P24941 1/20 0.67
IRAK1 P51617 1/20 0.67
RPS6KA3 P51812 1/20 0.67
PLK3 Q9H4B4 1/20 0.67
CSNK1G3 Q9Y6M4 1/20 0.67

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
SCHEMBL2533013 0.86 ADORA2B (0.70) ADORA2BADORA1ADORA2AADORA3
SCHEMBL1064628 0.84 ADORA2B (0.62) ADORA2BADORA1ADORA2AADORA3PLK4
SCHEMBL1066535 0.84 ADORA2B (0.61) ADORA2BADORA1ADORA2AADORA3PLK4
SCHEMBL1064680 0.84 ADORA2B (0.64) ADORA2BADORA1ADORA2AADORA3PLK4
SCHEMBL4408541 0.82 ADORA2B (0.62) ADORA2BADORA1ADORA2AADORA3PLK4
SCHEMBL242517 0.82 ADORA2B (1.00) ADORA2BADORA1ADORA2AADORA3PLK4
SCHEMBL243736 0.81 ADORA2B (0.86) ADORA2BADORA1ADORA2AADORA3PLK4
SCHEMBL1065977 0.81 ADORA2B (0.60) ADORA2BADORA1ADORA2AADORA3PLK4
SCHEMBL1065549 0.80 ADORA2B (1.00) ADORA2BADORA1ADORA2AADORA3
Gs 6201 SCHEMBL29504137 0.80 ADORA2B (1.00) ADORA2BADORA1ADORA2AADORA3PLK4

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 68 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
EP-1789053-B1 METHOD OF WOUND HEALING USING A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES INC (US) 2012-06-13 EP 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
EP-1444233-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD PALO ALTO INC (US) 2011-08-17 EP claimed
US-20100105706-A1 METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD PALO ALTO, INC. (US) 2010-04-29 US claimed
EP-1799221-A1 METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2007-06-27 EP claimed
EP-1789053-A2 METHOD OF WOUND HEALING USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2007-05-30 EP claimed
US-20060159627-A1 Method of preventing and treating airway remodeling and pulmonary inflammation using A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2006-07-20 US claimed
WO-2006044610-A1 METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC (US) 2006-04-27 WO claimed
WO-2006028810-A2 METHOD OF WOUND HEALING USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-03-16 WO claimed
US-20060058322-A1 Method of wound healing using A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2006-03-16 US claimed
US-20050038045-A1 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-02-17 US claimed
US-6825349-B2 PURINE DERIVATIVES FOR TREATMENT OF GASTROINTESTINAL DISORDERS, IMMUNOLOGICAL DISORDERS, NEUROLOGICAL DISORDERS CV THERAPEUTICS INC. 2004-11-30 US claimed
EP-1444233-A2 A 2B? ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-08-11 EP claimed
US-20030139428-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-07-24 US claimed
WO-2003042214-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-05-22 WO 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-20030139428-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-07-24 US disclosed
WO-2003042214-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-05-22 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 (5 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-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA1 3/4885ADORA2A 2/4885
US-20120003329-A1 Use of A2B Adenosine Receptor Antagonists for Treating Pulmonary Hypertension ADORA2B, ADORA2A, TBXA2R ADORA2B 1/4885ADORA1 4/4885ADORA2A 2/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA1 3/4885ADORA2A 2/4885
US-20100105706-A1 METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA1 3/4885ADORA2A 2/4885
US-20060058322-A1 Method of wound healing using A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA1 3/4885ADORA2A 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.