SCHEMBL242052

SCHEMBL242052

CCCn1c(=O)c(N=O)c(N)n(CC)c1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CASP6 P55212 1/20 0.41
PDE4A P27815 6/20 0.41
PDE4B Q07343 6/20 0.41
PDE4C Q08493 6/20 0.41
PDE4D Q08499 6/20 0.41
ADORA2A P29274 6/20 0.41
ADORA2B P29275 6/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL7356240 0.93 ALDH1A1 (0.47) ALDH1A1LMNACASP6PDE4APDE4B
SCHEMBL3397649 0.90 CASP6 (0.42) ALDH1A1CASP6PDE4APDE4BPDE4C
SCHEMBL13746372 0.86 PDE4A (0.43) ALDH1A1LMNACASP6PDE4APDE4B
SCHEMBL1546702 0.85 CASP6 (0.50) ALDH1A1LMNACASP6PDE4APDE4B
Nitrous Acid SCHEMBL25420864 0.83 CASP6 (0.38) ALDH1A1CASP6PDE4APDE4BPDE4C
SCHEMBL7743865 0.83 PDE4A (0.42) ALDH1A1LMNACASP6PDE4APDE4B
Nitrous Acid SCHEMBL25420865 0.83 CASP6 (0.38) ALDH1A1CASP6PDE4APDE4BPDE4C
SCHEMBL7321137 0.81 CASP6 (0.50) ALDH1A1LMNACASP6PDE4APDE4B
SCHEMBL1546524 0.81 SIRT1 (0.41) ALDH1A1LMNACASP6PDE4APDE4B
SCHEMBL8873522 0.80 ALDH1A1 (0.49) ALDH1A1LMNAADORA2AADORA2BCYP3A4

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 49 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-20140243358-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2014-08-28 US disclosed
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-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-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-20120220608-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. 2012-08-30 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-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
US-20060058322-A1 Method of wound healing using A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2006-03-16 US disclosed
WO-2006028810-A2 METHOD OF WOUND HEALING USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-03-16 WO 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 (6 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 156/4885LMNA 1544/4885CASP6 2653/4885
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 150/4885LMNA 2648/4885CASP6 1384/4885
US-20060281921-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 870/4885LMNA 3818/4885CASP6 3639/4885
US-20120220608-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ALDH1A1 156/4885LMNA 1544/4885CASP6 2653/4885
US-20040176399-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 779/4885LMNA 3889/4885CASP6 3717/4885
US-20060058322-A1 Method of wound healing using A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 470/4885LMNA 2855/4885CASP6 2553/4885

“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.