SCHEMBL5263797

SCHEMBL5263797

CS(=O)(=O)c1ccc(-c2nc3ncccn3c2-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.60
AKT1 P31749 1/20 0.57
AKT2 P31751 1/20 0.57
ROCK2 O75116 1/20 0.55
PIM1 P11309 1/20 0.55
GSK3B P49841 1/20 0.55
PTGS1 P23219 2/20 0.53
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
GAA P10253 2/20 0.48

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
SCHEMBL7221448 1.00 PTGS2 (0.60) PTGS2AKT1AKT2ROCK2PIM1
SCHEMBL7218013 0.91 PTGS2 (0.50) PTGS2AKT1AKT2ROCK2PIM1
SCHEMBL7220519 0.90 KDM4E (0.59) PTGS2AKT1AKT2ROCK2PIM1
SCHEMBL7220425 0.90 PTGS2 (0.49) PTGS2AKT1AKT2ROCK2PIM1
SCHEMBL7217077 0.90 PTGS2 (0.60) PTGS2AKT1AKT2PTGS1
SCHEMBL5261561 0.90 KDM4E (0.59) PTGS2AKT1AKT2ROCK2PIM1
SCHEMBL5261262 0.90 PTGS2 (0.60) PTGS2AKT1AKT2PTGS1
SCHEMBL7215555 0.88 KDM4E (0.60) PTGS2AKT1AKT2PTGS1KDM4E
SCHEMBL7215540 0.88 AKT1 (0.60) PTGS2AKT1AKT2ROCK2PIM1
SCHEMBL5263628 0.86 PTGS2 (0.49) PTGS2AKT1AKT2ROCK2PIM1

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.