SCHEMBL1546765

SCHEMBL1546765

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.46
ADORA2A P29274 7/20 0.46
PDE4B Q07343 7/20 0.46
PDE4C Q08493 7/20 0.46
PDE4D Q08499 7/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ADORA2B P29275 6/20 0.42
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL28438188 0.86 ADORA2A (0.45) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL1061386 0.86 ALDH1A1 (0.51) PDE4AADORA2APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL1565880 0.84 ALDH1A1 (0.50) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL7321782 0.84 ADORA2A (0.46) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL244491 0.82 ALDH1A1 (0.45) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL1546702 0.78 CASP6 (0.50) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL5687930 0.78 PDE4A (0.47) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL11604134 0.77 ALDH1A1 (0.38) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL14267075 0.76 ADORA2B (0.45) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL8192033 0.76 ADORA2B (0.50) ADORA2AADORA2BGLABLM

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 32 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-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-5032593-A Anithistamines MARION MERRELL DOW INC. (US) 1991-07-16 US disclosed
US-5017577-A Using Purine Cinnamic Acids BURROUGHS WELLCOME CO. (US) 1991-05-21 US disclosed
US-5015647-A Using Purine Cinnamic Acid Compounds BURROUGHS WELLCOME CO. (US) 1991-05-14 US disclosed
US-4981857-A ADENOSINE ANTAGONIST BURROUGHS WELLCOME CO. (US) 1991-01-01 US disclosed
EP-0383868-A1 1,3-UNSYMMETRICAL STRAIGHT CHAIN ALKYL-SUBSTITUTED 8-PHENYLXANTHINES MARION LABORATORIES, INC. (US) 1990-08-29 EP disclosed
WO-1990000056-A1 1,3-UNSYMMETRICAL STRAIGHT CHAIN ALKYL-SUBSTITUTED 8-PHENYLXANTHINES MARION LABORATORIES, INC. (US) 1990-01-11 WO disclosed
US-4879296-A BLOCKING ADERNOSINE CELL SURFACE EFFECTS BURROUGHS WELLCOME CO. (US) 1989-11-07 US disclosed
US-4783530-A CARDIOTONIC AND BRONCHODILATOR AGENTS MARION LABORATORIES, INC. (US) 1988-11-08 US disclosed
EP-0267607-A1 8-Arylxanthines MARION MERRELL DOW INC. (US) 1988-05-18 EP disclosed
EP-0203721-A2 8-Phenyl xanthines THE WELLCOME FOUNDATION LIMITED (GB) 1986-12-03 EP 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-20140243358-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 PDE4A 259/4885ADORA2A 2/4885PDE4B 176/4885
US-20120220608-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 PDE4A 259/4885ADORA2A 2/4885PDE4B 176/4885
US-20100105706-A1 METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 PDE4A 71/4885ADORA2A 2/4885PDE4B 50/4885
US-20110184002-A1 METHOD OF TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 PDE4A 295/4885ADORA2A 2/4885PDE4B 167/4885

“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.