SCHEMBL1546589

SCHEMBL1546589

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.58
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 1/20 0.46
ADORA2A P29274 8/20 0.41
ADORA2B P29275 7/20 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
ADORA1 P30542 1/20 0.38
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 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
SCHEMBL1945518 0.89 HPGD (0.55) HPGDALDH1A1CYP3A4ADORA2APDE4A
SCHEMBL1944109 0.86 HPGD (0.60) HPGDALDH1A1CYP3A4ADORA2AADORA2B
SCHEMBL2330664 0.86 ALDH1A1 (0.47) HPGDALDH1A1CYP3A4ADORA2AADORA2B
SCHEMBL6305749 0.85 ALDH1A1 (0.64) HPGDALDH1A1CYP3A4ADORA2AADORA2B
SCHEMBL22521702 0.83 HPGD (0.57) HPGDALDH1A1CYP3A4ADORA2BPDE4A
SCHEMBL239409 0.83 ALDH1A1 (0.45) HPGDALDH1A1CYP3A4ADORA2AADORA2B
SCHEMBL24559084 0.80 HPGD (0.54) HPGDALDH1A1CYP3A4ADORA2AADORA2B
SCHEMBL1545990 0.78 ALDH1A1 (0.75) HPGDALDH1A1CYP3A4PDE4APDE4B
SCHEMBL11606618 0.78 ALDH1A1 (0.55) HPGDALDH1A1CYP3A4PDE4APDE4B
SCHEMBL22521705 0.77 HPGD (0.54) HPGDALDH1A1CYP3A4ADORA2BPDE4A

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 56 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-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2013-05-16 US disclosed
US-8324224-B2 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. (US) 2012-12-04 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-20110257127-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2011-10-20 US disclosed
EP-1444233-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD PALO ALTO INC (US) 2011-08-17 EP disclosed
US-20040176399-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2004-09-09 US disclosed
EP-1444233-A2 A 2B? ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-08-11 EP disclosed
US-20030229106-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-12-11 US disclosed
US-20030139428-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-07-24 US disclosed
WO-2003042214-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-05-22 WO disclosed
EP-0383868-A4 1,3-UNSYMMETRICAL STRAIGHT CHAIN ALKYL-SUBSTITUTED 8-PHENYLXANTHINES 1991-12-04 EP disclosed
US-5032593-A Anithistamines MARION MERRELL DOW INC. (US) 1991-07-16 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-4783530-A CARDIOTONIC AND BRONCHODILATOR AGENTS MARION LABORATORIES, INC. (US) 1988-11-08 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 HPGD 810/4885ALDH1A1 156/4885CYP3A4 1398/4885
US-20110257127-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 HPGD 718/4885ALDH1A1 875/4885CYP3A4 1981/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 HPGD 899/4885ALDH1A1 691/4885CYP3A4 1327/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 HPGD 899/4885ALDH1A1 691/4885CYP3A4 1327/4885
US-20120220608-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 HPGD 810/4885ALDH1A1 156/4885CYP3A4 1398/4885
US-20040176399-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 HPGD 734/4885ALDH1A1 779/4885CYP3A4 925/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 HPGD 718/4885ALDH1A1 875/4885CYP3A4 1981/4885

“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.