SCHEMBL1243837

SCHEMBL1243837

CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4ccc(F)nc4)nc3)nc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 17/20 0.47
ADORA2A P29274 12/20 0.47
ADORA1 P30542 4/20 0.42
ADORA3 P0DMS8 3/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL9885750 0.92 ADORA2B (0.47) ADORA2BADORA2AADORA1ADORA3CYP2D6
SCHEMBL16299180 0.91 ADORA2B (0.47) ADORA2BADORA2AADORA1ADORA3CYP2D6
SCHEMBL9885728 0.91 ADORA2B (0.47) ADORA2BADORA2AADORA1ADORA3CYP2D6
SCHEMBL1243117 0.91 ADORA2B (0.58) ADORA2BADORA2AADORA1ADORA3
SCHEMBL1243367 0.91 ADORA2B (0.46) ADORA2BADORA2AADORA1ADORA3
SCHEMBL1243258 0.91 ADORA2B (0.47) ADORA2BADORA2AADORA1ADORA3
SCHEMBL30741230 0.91 ADORA2B (0.47) ADORA2BADORA2AADORA1ADORA3
SCHEMBL1243251 0.89 ADORA2B (0.44) ADORA2BADORA2AADORA1ADORA3
SCHEMBL9885724 0.88 ADORA2B (0.45) ADORA2BADORA2AADORA1ADORA3CYP2C9
SCHEMBL1243077 0.88 ADORA2B (0.43) ADORA2BADORA2AADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221821-B2 Methods for the synthesis of 1,3-substituted aminouracils and other xanthine-related compounds Forest Laboratories Holdings, Limited (BM) 2015-12-29 US disclosed
US-9221821-B2 Methods for the synthesis of 1,3-substituted aminouracils and other xanthine-related compounds Forest Laboratories Holdings, Limited (BM) 2015-12-29 US disclosed
US-8258142-B2 Substituted 8-[6-amino-3-pyridyl]xanthines DOGWOOD PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-8258142-B2 Substituted 8-[6-amino-3-pyridyl]xanthines DOGWOOD PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-8258142-B2 Substituted 8-[6-amino-3-pyridyl]xanthines DOGWOOD PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-8193200-B2 administering a substituted 8-(3-pyridyl)-xanthine; ulcerative colitis; Crohn's disease UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-06-05 US disclosed
US-8193200-B2 administering a substituted 8-(3-pyridyl)-xanthine; ulcerative colitis; Crohn's disease UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-06-05 US disclosed
US-8193200-B2 administering a substituted 8-(3-pyridyl)-xanthine; ulcerative colitis; Crohn's disease UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-06-05 US disclosed
US-20110082139-A1 SUBSTITUTED 8-[6-AMINO-3-PYRIDYL]XANTHINES ALLERGAN SALES, LLC 2011-04-07 US disclosed
US-20110082139-A1 SUBSTITUTED 8-[6-AMINO-3-PYRIDYL]XANTHINES ALLERGAN SALES, LLC 2011-04-07 US disclosed
US-7884100-B2 Substituted 8-[6-amino-3-pyridyl]xanthines PGXHEALTH, LLC (US) 2011-02-08 US disclosed
US-7884100-B2 Substituted 8-[6-amino-3-pyridyl]xanthines PGXHEALTH, LLC (US) 2011-02-08 US disclosed
US-7884100-B2 Substituted 8-[6-amino-3-pyridyl]xanthines PGXHEALTH, LLC (US) 2011-02-08 US disclosed
US-20080176845-A1 Antagonists of A2B adenosine receptors for treatment of inflammatory bowel disease EMORY UNIVERSITY 2008-07-24 US disclosed
US-20080176845-A1 Antagonists of A2B adenosine receptors for treatment of inflammatory bowel disease EMORY UNIVERSITY 2008-07-24 US disclosed
US-20080176845-A1 Antagonists of A2B adenosine receptors for treatment of inflammatory bowel disease EMORY UNIVERSITY 2008-07-24 US disclosed
US-20080004292-A1 Substituted 8-[6-amino-3-pyridyl]xanthines ALLERGAN SALES, LLC 2008-01-03 US disclosed
US-20080004292-A1 Substituted 8-[6-amino-3-pyridyl]xanthines ALLERGAN SALES, LLC 2008-01-03 US disclosed
US-20080004292-A1 Substituted 8-[6-amino-3-pyridyl]xanthines ALLERGAN SALES, LLC 2008-01-03 US disclosed
US-20070072843-A1 For treating asthma and improving insulin sensitivity ADENOSINE THERAPEUTICS, LLC 2007-03-29 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 (4 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-20110082139-A1 SUBSTITUTED 8-[6-AMINO-3-PYRIDYL]XANTHINES ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA2A 2/4885ADORA1 4/4885
US-20080004292-A1 Substituted 8-[6-amino-3-pyridyl]xanthines ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA2A 2/4885ADORA1 4/4885
US-20080176845-A1 Antagonists of A2B adenosine receptors for treatment of inflammatory bowel disease ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA2A 2/4885ADORA1 3/4885
US-20070072843-A1 For treating asthma and improving insulin sensitivity ADORA2B, GPR119, ADORA2A ADORA2B 1/4885ADORA2A 3/4885ADORA1 4/4885

“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.