SCHEMBL5260974

SCHEMBL5260974

CCOc1ccc(-c2nc3ncccn3c2-c2ccc(S(C)(=O)=O)cc2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.52
ROCK2 O75116 1/20 0.42
PIM1 P11309 1/20 0.42
GSK3B P49841 1/20 0.42
PTGS1 P23219 5/20 0.42
KLK7 P49862 1/20 0.42
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
PI4KB Q9UBF8 1/20 0.38

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
SCHEMBL7220911 0.90 PTGS2 (0.50) PTGS2ROCK2PIM1GSK3BPTGS1
SCHEMBL5264566 0.86 PTGS2 (0.52) PTGS2PTGS1ALDH1A1PI4KB
SCHEMBL5264075 0.85 ROCK2 (0.42) PTGS2ROCK2PIM1GSK3BPTGS1
SCHEMBL5260161 0.84 MAPT (0.45) PTGS2ROCK2PIM1GSK3BPTGS1
SCHEMBL7214573 0.84 PTGS2 (0.51) PTGS2ROCK2PIM1GSK3BPTGS1
SCHEMBL7221442 0.83 ROCK2 (0.46) PTGS2ROCK2PIM1GSK3BKDM4E
SCHEMBL5262417 0.83 KLK7 (0.59) PTGS2ROCK2PIM1GSK3BPTGS1
SCHEMBL23407549 0.82 KLK7 (0.46) PTGS2ROCK2PIM1GSK3BKLK7
SCHEMBL29620846 0.82 KLK7 (0.46) PTGS2ROCK2PIM1GSK3BKLK7
SCHEMBL7216630 0.82 PTGS2 (0.50) PTGS2ROCK2PIM1GSK3BKDM4E

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 1467/4885ROCK2 4845/4885PIM1 1850/4885

“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.