SCHEMBL239675

SCHEMBL239675

CCCn1c(=O)c(NC(=O)c2ccn(Cc3cccc(C(F)(F)F)c3)n2)c(N)n(CC)c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 9/20 0.46
ADORA2A P29274 6/20 0.46
ADORA1 P30542 6/20 0.46
ADORA3 P0DMS8 5/20 0.46
PLK4 O00444 1/20 0.46
CDK2 P24941 1/20 0.46
IRAK1 P51617 1/20 0.46
RPS6KA3 P51812 1/20 0.46
PLK3 Q9H4B4 1/20 0.46
CSNK1G3 Q9Y6M4 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL1546132 0.86 ADORA2B (0.51) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL244147 0.85 ADORA2B (0.55) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL1546104 0.84 ADORA2B (0.46) ADORA2BADORA2AADORA1ADORA3SMN1; SMN2
SCHEMBL5054303 0.78 ADORA2B (0.42) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL6014101 0.78 ADORA2B (0.40) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL1546107 0.77 ADORA2B (0.54) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL1546710 0.74 ADORA2B (0.57) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL1546141 0.74 SMN1; SMN2 (0.42) SMN1; SMN2ATMKDM4EALDH1A1TSHR
SCHEMBL8979367 0.73 ADORA2A (0.51) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL27645551 0.71 ATM (0.50) SMN1; SMN2ATMKDM4EALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2595630-A1 USE OF A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING PULMONARY HYPERTENSION Gilead Sciences, Inc. (US) 2013-05-29 EP disclosed
US-20120220608-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. 2012-08-30 US disclosed
EP-1789053-B1 METHOD OF WOUND HEALING USING A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES INC (US) 2012-06-13 EP disclosed
US-8188099-B2 Method of decreasing hepatotoxic side effects using A2B adenosine receptor antagonists GILEAD SCIENCES, INC. (US) 2012-05-29 US disclosed
US-20120003329-A1 Use of A2B Adenosine Receptor Antagonists for Treating Pulmonary Hypertension GILEAD SCIENCES, INC. 2012-01-05 US disclosed
WO-2012003220-A1 USE OF A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING PULMONARY HYPERTENSION GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed
US-20110184002-A1 METHOD OF TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2011-07-28 US disclosed
EP-1789053-A2 METHOD OF WOUND HEALING USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2007-05-30 EP disclosed
US-20060281921-A1 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. 2006-12-14 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
US-20060058322-A1 Method of wound healing using A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2006-03-16 US disclosed
WO-2006028810-A2 METHOD OF WOUND HEALING USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-03-16 WO 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 (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-20060281921-A1 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-20040176399-A1 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-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.