SCHEMBL1546772

SCHEMBL1546772

Cn1c(N)c(NC(=O)c2cnn(Cc3cccc(C#N)c3)c2)c(=O)n(CC2CC2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.49
CREBBP Q92793 1/20 0.44
ADORA3 P0DMS8 3/20 0.43
ADORA2A P29274 3/20 0.43
ADORA2B P29275 3/20 0.43
ADORA1 P30542 3/20 0.43
ITK Q08881 9/20 0.42
AURKA O14965 4/20 0.41
BRD4 O60885 1/20 0.40
ERCC5 P28715 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.38
SCD O00767 1/20 0.38

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
SCHEMBL1546111 0.88 ADORA2A (0.55) KLKB1ADORA3ADORA2AADORA2BADORA1
SCHEMBL1546538 0.88 ADORA2A (0.51) KLKB1ADORA3ADORA2AADORA2BADORA1
SCHEMBL1546006 0.86 ADORA2B (0.57) ADORA3ADORA2AADORA2BADORA1
SCHEMBL1545984 0.86 KLKB1 (0.49) KLKB1CREBBPADORA3ADORA2AADORA2B
SCHEMBL1546706 0.80 ADORA2B (0.49) KLKB1ADORA3ADORA2AADORA2BADORA1
SCHEMBL1546710 0.78 ADORA2B (0.57) ADORA3ADORA2AADORA2BADORA1
SCHEMBL1546781 0.78 KLKB1 (0.52) KLKB1CREBBPADORA3ADORA2AADORA2B
SCHEMBL1546750 0.78 ADORA2B (0.52) KLKB1ADORA3ADORA2AADORA2BADORA1
SCHEMBL1546133 0.76 KLKB1 (0.51) KLKB1CREBBPADORA3ADORA2BITK
SCHEMBL1546533 0.76 ADORA2B (0.54) KLKB1ADORA3ADORA2AADORA2BADORA1

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 25 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
US-20120220608-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. 2012-08-30 US disclosed
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 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-20110184002-A1 METHOD OF TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2011-07-28 US disclosed
EP-2311462-A1 Method of preventing and treating airway remodeling and pulmonary inflammation using A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2011-04-20 EP disclosed
US-7795268-B2 administration of therapeutically effective amount of 3-ethyl-1-propyl-8-(1-{[3-(trifluoromethyl)phenyl]methyl}pyrazol-4-yl)-1,3,7-trihydropurine-2,6-dione, wherein hepatic disease is selected from necrosis, fibrosis, cholestasis, cirrhosis, viral and alcoholic hepatitis, ingestion of hepatotoxic drugs GILEAD PALO ALTO, INC. (US) 2010-09-14 US disclosed
US-20070219221-A1 administration of therapeutically effective amount of 3-ethyl-1-propyl-8-(1-{[3-(trifluoromethyl)phenyl]methyl}pyrazol-4-yl)-1,3,7-trihydropurine-2,6-dione, wherein hepatic disease is selected from necrosis, fibrosis, cholestasis, cirrhosis, viral and alcoholic hepatitis, ingestion of hepatotoxic drugs GILEAD SCIENCES, INC. 2007-09-20 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-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 (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 KLKB1 1719/4885CREBBP 2749/4885ADORA3 4/4885
US-20070219221-A1 administration of therapeutically effective amount of 3-ethyl-1-propyl-8-(1-{[3-(trifluoromethyl)phenyl]methyl}pyrazol-4-yl)-1,3,7-trihydropurine-2,6-dione, wherein hepatic disease is selected from necrosis, fibrosis, cholestasis, cirrhosis, viral and alcoholic hepatitis, ingestion of hepatotoxic drugs ADORA2B, ADORA2A, ADORA1 KLKB1 1822/4885CREBBP 3045/4885ADORA3 4/4885
US-20060281921-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KLKB1 1735/4885CREBBP 2445/4885ADORA3 4/4885
US-20120220608-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 KLKB1 1719/4885CREBBP 2749/4885ADORA3 4/4885
US-20040176399-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KLKB1 1948/4885CREBBP 2407/4885ADORA3 4/4885
US-20110184002-A1 METHOD OF TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 KLKB1 1634/4885CREBBP 2970/4885ADORA3 4/4885
US-20060058322-A1 Method of wound healing using A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KLKB1 1906/4885CREBBP 1722/4885ADORA3 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.