SCHEMBL5263337

SCHEMBL5263337

Cc1ccn2c(-c3ccccc3)c(-c3ccc(S(C)(=O)=O)cc3)nc2n1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.60
AKT1 P31749 1/20 0.58
AKT2 P31751 1/20 0.58
PTGS1 P23219 3/20 0.47

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
SCHEMBL5261375 0.91 PTGS2 (0.49) PTGS2AKT1AKT2PTGS1
SCHEMBL7217116 0.91 PTGS2 (0.49) PTGS2AKT1AKT2PTGS1
SCHEMBL14340763 0.89 PTGS2 (0.61) PTGS2AKT1AKT2PTGS1
SCHEMBL5263764 0.89 AKT1 (0.60) PTGS2AKT1AKT2PTGS1
SCHEMBL7215338 0.85 PTGS2 (0.46) PTGS2AKT1AKT2PTGS1
SCHEMBL5264860 0.83 AKT1 (0.52) PTGS2AKT1AKT2
Acetic Acid SCHEMBL6101078 0.83 AKT1 (0.61) PTGS2AKT1AKT2PTGS1
SCHEMBL5263797 0.82 PTGS2 (0.60) PTGS2AKT1AKT2PTGS1
SCHEMBL7221448 0.82 PTGS2 (0.60) PTGS2AKT1AKT2PTGS1
SCHEMBL5263137 0.81 AKT1 (0.62) PTGS2AKT1AKT2PTGS1

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 1467/4885AKT1 3579/4885AKT2 3297/4885

“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.