SCHEMBL1546099

SCHEMBL1546099

CCn1c(N)cc(=O)n(CC(C)C)c1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
RGS4 P49798 2/20 0.41
RGS8 P57771 2/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
ADORA2A P29274 3/20 0.39
ADORA2B P29275 3/20 0.39
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
CYP3A4 P08684 1/20 0.36
TNF P01375 1/20 0.36
LITAF Q99732 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL9849016 0.91 ALDH1A1 (0.74) ALDH1A1RGS4RGS8KDM4EMAPT
SCHEMBL2329963 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTGAAGFER
SCHEMBL1545990 0.81 ALDH1A1 (0.75) ALDH1A1KDM4EMAPTMEN1THRB
SCHEMBL239409 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTGAAGFER
SCHEMBL5551663 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTGAAGFER
SCHEMBL10957985 0.77 ALDH1A1 (1.00) ALDH1A1GAACYP3A4HPGDTSHR
SCHEMBL1948066 0.76 ADORA2B (0.46) ALDH1A1RGS4RGS8KDM4EMAPT
SCHEMBL20392162 0.75 RGS4 (0.53) ALDH1A1RGS4RGS8ADORA2AADORA2B
SCHEMBL1943523 0.75 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTGAAGFER
SCHEMBL28968573 0.75 CYP3A4 (0.48) ALDH1A1KDM4EMAPTGAAGFER

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 18 patents. 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-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-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 disclosed
US-20090137802-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. 2009-05-28 US disclosed
US-7521554-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2009-04-21 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
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
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
US-20060058322-A1 Method of wound healing using A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2006-03-16 US 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 (9 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 ALDH1A1 156/4885RGS4 2213/4885RGS8 1989/4885
US-20090137802-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ALDH1A1 870/4885RGS4 1011/4885RGS8 514/4885
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 ALDH1A1 150/4885RGS4 4371/4885RGS8 1514/4885
US-20060281921-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 870/4885RGS4 1011/4885RGS8 514/4885
US-20120220608-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ALDH1A1 156/4885RGS4 2213/4885RGS8 1989/4885
US-20100105706-A1 METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ALDH1A1 1233/4885RGS4 1167/4885RGS8 878/4885
US-20040176399-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 779/4885RGS4 907/4885RGS8 762/4885
US-20110184002-A1 METHOD OF TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ALDH1A1 190/4885RGS4 2061/4885RGS8 1939/4885
US-20060058322-A1 Method of wound healing using A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 470/4885RGS4 677/4885RGS8 764/4885

“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.