SCHEMBL5264566

SCHEMBL5264566

CCOc1ccc(-c2nc3nc(C)ccn3c2-c2ccc(S(C)(=O)=O)cc2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.52
PTGS1 P23219 5/20 0.42
MAPK14 Q16539 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL6102455 0.87 AKT1 (0.49) MAPK14ALDH1A1
SCHEMBL5260974 0.86 PTGS2 (0.52) PTGS2PTGS1PI4KBALDH1A1
SCHEMBL5263570 0.85 MAPK14 (0.39) PTGS2PTGS1MAPK14ALDH1A1
SCHEMBL5261869 0.85 AKT1 (0.39) PTGS2PTGS1MAPK14ALDH1A1
SCHEMBL14340763 0.80 PTGS2 (0.61) PTGS2PTGS1MAPK14
SCHEMBL7215338 0.79 PTGS2 (0.46) PTGS2PTGS1MAPK14
SCHEMBL5261375 0.78 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7217116 0.78 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL5263337 0.77 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7220911 0.77 PTGS2 (0.50) PTGS2PTGS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660500-B1 SUBSTITUTED IMIDAZOPYRIMIDINES FOR THE PREVENTION AND TREATMENT OF CANCER S A L V A T LAB SA (ES) 2007-12-12 EP disclosed
US-20060189631-A1 Substituted imidazopyrimidines for the prevention and treatment of cancer LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2006-08-24 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 (1 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-20060189631-A1 Substituted imidazopyrimidines for the prevention and treatment of cancer BRCA1, CCNA1, DPYD PTGS2 1467/4885PTGS1 596/4885MAPK14 3719/4885

“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.