SCHEMBL243345

SCHEMBL243345

CCCn1c(=O)c2[nH]c(-c3c[nH]nc3Cc3cccc(C(=O)O)n3)nc2n(CCC)c1=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 15/20 0.54
ADORA1 P30542 5/20 0.53
ADORA2A P29274 12/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ADORA3 P0DMS8 2/20 0.51

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
SCHEMBL4639739 0.88 ADORA2B (0.52) ADORA2BADORA1ADORA2AKDM4EMEN1
SCHEMBL242409 0.83 ADORA2B (0.56) ADORA2BADORA1ADORA2AKDM4EMEN1
SCHEMBL4176128 0.83 ADORA2B (0.62) ADORA2BADORA1ADORA2AKDM4EMEN1
SCHEMBL4291542 0.83 ADORA2B (0.66) ADORA2BADORA1ADORA2AKDM4EMEN1
SCHEMBL1947253 0.81 ADORA2B (0.61) ADORA2BADORA1ADORA2AKDM4EMEN1
SCHEMBL5687959 0.79 ADORA2B (0.63) ADORA2BADORA1ADORA2AKDM4EMEN1
SCHEMBL3466506 0.79 ADORA2B (0.59) ADORA2BADORA1ADORA2AKDM4EMEN1
SCHEMBL1944482 0.79 ADORA2B (0.52) ADORA2BADORA1ADORA2AADORA3
SCHEMBL3466575 0.78 ADORA2B (0.61) ADORA2BADORA1ADORA2AKDM4EMEN1
SCHEMBL5685513 0.78 ADORA2B (0.59) ADORA2BADORA1ADORA2AKDM4EMEN1

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 62 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
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-1622908-B1 XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-08-06 EP 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
EP-1622908-A1 XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-02-08 EP claimed
US-6977300-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2005-12-20 US claimed
US-20050261316-A1 A2B Adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-11-24 US claimed
WO-2004106337-A1 XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-12-09 WO claimed
US-20030229106-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-12-11 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
WO-2004106337-A1 XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-12-09 WO disclosed
US-20030229106-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-12-11 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 (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-20120003329-A1 Use of A2B Adenosine Receptor Antagonists for Treating Pulmonary Hypertension ADORA2B, ADORA2A, TBXA2R ADORA2B 1/4885ADORA1 4/4885ADORA2A 2/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA1 3/4885ADORA2A 2/4885
US-20050261316-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.