SCHEMBL244147

SCHEMBL244147

CCCn1c(=O)c(NC(=O)c2cnn(Cc3cccc(C(F)(F)F)c3)c2)c(N)n(CC)c1=O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 18/20 0.55
ADORA2A P29274 14/20 0.55
ADORA1 P30542 14/20 0.55
ADORA3 P0DMS8 11/20 0.55
PLK4 O00444 1/20 0.55
CDK2 P24941 1/20 0.55
IRAK1 P51617 1/20 0.55
RPS6KA3 P51812 1/20 0.55
PLK3 Q9H4B4 1/20 0.55
CSNK1G3 Q9Y6M4 1/20 0.55
SCD5 Q86SK9 1/20 0.41

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
SCHEMBL1546107 0.93 ADORA2B (0.54) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL1546710 0.89 ADORA2B (0.57) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL8979367 0.89 ADORA2A (0.51) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL796431 0.86 ADORA2B (0.58) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL30495481 0.86 ADORA2B (0.58) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL239675 0.85 ADORA2B (0.46) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL1546735 0.85 ADORA2B (0.53) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL1546518 0.83 ADORA2B (0.56) ADORA2BADORA2AADORA1ADORA3SCD5
SCHEMBL1546006 0.82 ADORA2B (0.57) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL1546032 0.80 ADORA2B (0.54) ADORA2BADORA2AADORA1ADORA3SCD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685132-B1 Processes and intermediates for the preparation of purine derivatives useful in the treatment of (inter alia) cancer, asthma and diarrhea GILEAD SCIENCES INC (US) 2012-08-29 EP claimed
JP-2007512335-A 2007-05-17 JP claimed
EP-1685132-A1 A sb 2B /sb ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-08-02 EP claimed
WO-2005051951-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-06-09 WO claimed
US-20040176399-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2004-09-09 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
EP-2694074-B1 USE OF A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING HEART FAILURE AND ARRHYTHMIA IN POST-MYOCARDIAL INFARCTION PATIENTS GILEAD SCIENCES INC (US) 2016-07-20 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
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-8609671-B2 Method of inhibiting hepatic fibrosis as a result of liver replacement or repair using A2B adenosine receptor antagonists GILEAD SCIENCES, INC. (US) 2013-12-17 US disclosed
US-8466129-B2 Method of preventing and treating airway remodeling and pulmonary inflammation using A2B adenosine receptor antagonists GILEAD SCIENCES, INC. (US) 2013-06-18 US disclosed
US-7125993-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2006-10-24 US disclosed
EP-1685132-A1 A sb 2B /sb ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-08-02 EP disclosed
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 disclosed
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 disclosed
WO-2006028810-A2 METHOD OF WOUND HEALING USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-03-16 WO disclosed
US-20060058322-A1 Method of wound healing using A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2006-03-16 US disclosed
WO-2005051951-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-06-09 WO disclosed
US-20040176399-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2004-09-09 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 (3 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-20040176399-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA2A 2/4885ADORA1 3/4885
US-20060058322-A1 Method of wound healing using 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.