Sugi Predict

Sugi Predict / Compounds / SCHEMBL1546080

SCHEMBL1546080

SCHEMBL1546080

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 1/20 0.46
▸ SIRT3 Q9NTG7 1/20 0.46
▸ SIRT5 Q9NXA8 1/20 0.46
▸ ADORA2A P29274 3/20 0.44
▸ ADORA2B P29275 3/20 0.44
▸ RGS4 P49798 3/20 0.43
▸ RGS8 P57771 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ CFTR P13569 2/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ TSHR P16473 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PDE5A O76074 2/20 0.38
▸ PDE4A P27815 2/20 0.38
▸ PDE4B Q07343 2/20 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
SCHEMBL4759804 0.90 ALDH1A1 (0.47) SIRT1SIRT3SIRT5ADORA2AADORA2B
SCHEMBL3399025 0.86 ADORA2A (0.42) SIRT1SIRT3SIRT5ADORA2AADORA2B
Hydrochloric Acid SCHEMBL28143496 0.84 ALDH1A1 (0.43) SIRT1SIRT3SIRT5ADORA2AADORA2B
SCHEMBL1546524 0.82 SIRT1 (0.41) SIRT1SIRT3SIRT5ADORA2AADORA2B
SCHEMBL244491 0.79 ALDH1A1 (0.45) ADORA2AADORA2BALDH1A1SMN1; SMN2LMNA
SCHEMBL20392162 0.78 RGS4 (0.53) SIRT1SIRT3SIRT5ADORA2AADORA2B
SCHEMBL4811164 0.76 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNAHTTCFTR
SCHEMBL30482604 0.75 ADORA2A (0.35) SIRT1SIRT3SIRT5ADORA2AADORA2B
SCHEMBL10616188 0.75 CYP3A4 (0.50) ADORA2AADORA2BALDH1A1SMN1; SMN2PDE4A
SCHEMBL2538035 0.75 ADORA2B (0.39) ADORA2AADORA2BALDH1A1ADORA1TSHR

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 17 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
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 SIRT1 1008/4885SIRT3 1882/4885SIRT5 1479/4885
US-20090137802-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 SIRT1 3037/4885SIRT3 4194/4885SIRT5 2904/4885
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 SIRT1 1386/4885SIRT3 2110/4885SIRT5 1962/4885
US-20060281921-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 SIRT1 3037/4885SIRT3 4194/4885SIRT5 2904/4885
US-20120220608-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 SIRT1 1008/4885SIRT3 1882/4885SIRT5 1479/4885
US-20100105706-A1 METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 SIRT1 522/4885SIRT3 1038/4885SIRT5 765/4885
US-20040176399-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 SIRT1 3210/4885SIRT3 4234/4885SIRT5 3026/4885
US-20110184002-A1 METHOD OF TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 SIRT1 985/4885SIRT3 1811/4885SIRT5 1159/4885
US-20060058322-A1 Method of wound healing using A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 SIRT1 2526/4885SIRT3 2881/4885SIRT5 2402/4885

“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.