SCHEMBL1167066

SCHEMBL1167066

COCCc1cccc(-c2ocnc2C(=O)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.53
HCRTR2 O43614 8/20 0.49
HCRTR1 O43613 3/20 0.46
FBP1 P09467 1/20 0.46
CDK2 P24941 4/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL1166864 0.89 CYP4F2 (0.52) GSK3BHCRTR2HCRTR1FBP1CDK2
SCHEMBL1166792 0.89 GSK3B (0.51) GSK3BHCRTR2HCRTR1FBP1CDK2
SCHEMBL1166776 0.88 GSK3B (0.49) GSK3BHCRTR2HCRTR1FBP1CDK2
SCHEMBL1166205 0.87 GSK3B (0.43) GSK3BHCRTR2HCRTR1FBP1CDK2
SCHEMBL1166876 0.86 GSK3B (0.50) GSK3BHCRTR2HCRTR1FBP1CDK2
SCHEMBL5474080 0.85 LOXL2 (0.51) GSK3BHCRTR2HCRTR1FBP1CDK2
SCHEMBL1167503 0.80 FBP1 (0.41) GSK3BHCRTR2HCRTR1FBP1
SCHEMBL1167034 0.80 GSK3B (0.45) GSK3BHCRTR2HCRTR1FBP1CDK2
SCHEMBL9125394 0.79 GSK3B (0.64) GSK3BHCRTR2FBP1CDK2MEN1
SCHEMBL1969272 0.78 ADORA2A (0.64) GSK3BHCRTR2HCRTR1FBP1CDK2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536209-B2 Aminotriazole derivatives as ALX agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-17 US disclosed
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP disclosed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US disclosed
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP disclosed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 US disclosed
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION (CH) 2010-12-30 US disclosed
EP-2242743-A1 AMINOPYRAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-10-27 EP disclosed
EP-2225231-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
WO-2009077954-A1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO disclosed
WO-2009077990-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 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 (2 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-20110034516-A1 AMINOPYRAZOLE DERIVATIVES CYP3A43, CYP1A2, CYP3A5 GSK3B 2540/4885HCRTR2 2700/4885HCRTR1 2862/4885
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ADORA1, ADORA3, TBXA2R GSK3B 3562/4885HCRTR2 55/4885HCRTR1 53/4885

“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.