SCHEMBL1546570

SCHEMBL1546570

CCn1c(N=CN(C)C)cc(=O)n(CC2CC2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.46
PDE4A P27815 3/20 0.46
PDE4B Q07343 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.40
GRIN2A Q12879 5/20 0.37
GRIA2 P42262 3/20 0.37
PARG Q86W56 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL2333544 0.86 LMNA (0.52) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL1546537 0.86 LMNA (0.51) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL5607986 0.82 LMNA (0.38) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL2756837 0.81 LMNA (0.51) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL240142 0.81 LMNA (0.51) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL4639746 0.79 LMNA (0.49) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL1546128 0.79 LMNA (0.46) LMNASMN1; SMN2HPGDPARGMEN1
SCHEMBL1945158 0.78 LMNA (0.45) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL2543060 0.78 LMNA (0.45) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL8188866 0.78 LMNA (0.45) LMNASMN1; SMN2HPGDMEN1KMT2A

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-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
WO-2005051951-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-06-09 WO 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 PDE5A 720/4885PDE4A 259/4885PDE4B 176/4885
US-20110257127-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 PDE5A 387/4885PDE4A 49/4885PDE4B 34/4885
US-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 PDE5A 387/4885PDE4A 49/4885PDE4B 34/4885
US-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 PDE5A 215/4885PDE4A 75/4885PDE4B 56/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 PDE5A 309/4885PDE4A 29/4885PDE4B 16/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 PDE5A 309/4885PDE4A 29/4885PDE4B 16/4885
US-20120220608-A1 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 PDE5A 720/4885PDE4A 259/4885PDE4B 176/4885
US-20040176399-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 PDE5A 287/4885PDE4A 27/4885PDE4B 18/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 PDE5A 387/4885PDE4A 49/4885PDE4B 34/4885

“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.