SCHEMBL5261869

SCHEMBL5261869

CCOc1ccc(-c2nc3nc(C)ccn3c2-c2ccc([S+](C)[O-])cc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.39
AKT2 P31751 4/20 0.39
MAPK14 Q16539 4/20 0.38
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.35
PTGS2 P35354 3/20 0.35
PTGS1 P23219 1/20 0.35
GRM2 Q14416 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
KIT P10721 1/20 0.31
S1PR4 O95977 1/20 0.31
CSNK1D P48730 1/20 0.31

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) AKT1AKT2MAPK14ALDH1A1KDM4E
SCHEMBL5264075 0.86 ROCK2 (0.42) AKT1AKT2ALDH1A1KDM4EMAPK1
SCHEMBL5263570 0.85 MAPK14 (0.39) AKT1AKT2MAPK14ALDH1A1KDM4E
SCHEMBL5261876 0.85 ALDH1A1 (0.41) AKT1AKT2MAPK14ALDH1A1KDM4E
SCHEMBL5264566 0.85 PTGS2 (0.52) MAPK14ALDH1A1PTGS2PTGS1
SCHEMBL5263130 0.82 AKT1 (0.43) AKT1AKT2MAPK14ALDH1A1KDM4E
SCHEMBL5264263 0.80 MAPK14 (0.50) AKT1AKT2MAPK14PTGS2PTGS1
SCHEMBL5261444 0.78 MAPK14 (0.42) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5265058 0.78 AKT1 (0.49) AKT1AKT2MAPK14KDM4EMAPK13
SCHEMBL5263424 0.78 AKT1 (0.40) AKT1AKT2MAPK14ALDH1A1KDM4E

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 AKT1 3579/4885AKT2 3297/4885MAPK14 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.