SCHEMBL239409

SCHEMBL239409

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

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
ADORA2A P29274 8/20 0.44
ADORA2B P29275 8/20 0.44
PDE4A P27815 6/20 0.44
PDE4B Q07343 6/20 0.44
PDE4C Q08493 6/20 0.44
PDE4D Q08499 6/20 0.44
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
CYP3A4 P08684 2/20 0.41
HPGD P15428 1/20 0.41
ADORA1 P30542 1/20 0.40
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 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
SCHEMBL2330664 0.92 ALDH1A1 (0.47) ALDH1A1ADORA2AADORA2BPDE4APDE4B
SCHEMBL1948066 0.89 ADORA2B (0.46) ALDH1A1ADORA2AADORA2BPDE4APDE4B
SCHEMBL2329963 0.88 ALDH1A1 (0.47) ALDH1A1ADORA2AADORA2BKDM4EGAA
SCHEMBL1546589 0.83 HPGD (0.58) ALDH1A1ADORA2AADORA2BPDE4APDE4B
SCHEMBL8355056 0.82 ALDH1A1 (0.40) ALDH1A1ADORA2AADORA2BPDE4APDE4B
SCHEMBL2336285 0.81 ALDH1A1 (0.45) ALDH1A1ADORA2AADORA2BPDE4APDE4B
SCHEMBL17582653 0.81 ALDH1A1 (0.66) ALDH1A1ADORA2AADORA2BPDE4APDE4B
SCHEMBL13414108 0.81 ALDH1A1 (0.41) ALDH1A1ADORA2AADORA2BPDE4APDE4B
SCHEMBL29738657 0.80 ADRA2A (0.45) ALDH1A1ADORA2BCYP3A4HPGD
SCHEMBL6305749 0.79 ALDH1A1 (0.64) ALDH1A1ADORA2AADORA2BPDE4APDE4B

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 73 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-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
US-20050261316-A1 A2B Adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-11-24 US disclosed
US-20050101778-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2005-05-12 US disclosed
US-20050038045-A1 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-02-17 US disclosed
WO-2004106337-A1 XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-12-09 WO disclosed
US-6825349-B2 PURINE DERIVATIVES FOR TREATMENT OF GASTROINTESTINAL DISORDERS, IMMUNOLOGICAL DISORDERS, NEUROLOGICAL DISORDERS CV THERAPEUTICS INC. 2004-11-30 US 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

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 156/4885ADORA2A 2/4885ADORA2B 1/4885
US-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 875/4885ADORA2A 2/4885ADORA2B 1/4885
US-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 505/4885ADORA2A 2/4885ADORA2B 1/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 691/4885ADORA2A 2/4885ADORA2B 1/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 691/4885ADORA2A 2/4885ADORA2B 1/4885
US-20120220608-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ALDH1A1 156/4885ADORA2A 2/4885ADORA2B 1/4885
US-20050261316-A1 A2B Adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 875/4885ADORA2A 2/4885ADORA2B 1/4885
US-20040176399-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 779/4885ADORA2A 2/4885ADORA2B 1/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ALDH1A1 875/4885ADORA2A 2/4885ADORA2B 1/4885

“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.