SCHEMBL5263570

SCHEMBL5263570

CCOc1ccc(-c2nc3nc(C)ccn3c2-c2ccc(SC)cc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.39
ALDH1A1 P00352 3/20 0.39
AKT1 P31749 2/20 0.39
AKT2 P31751 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37
PTGS2 P35354 4/20 0.36
PTGS1 P23219 3/20 0.36
MAPK13 O15264 3/20 0.35
MAPK12 P53778 3/20 0.35
MAPK11 Q15759 3/20 0.35
GCGR P47871 2/20 0.35
GRM2 Q14416 2/20 0.35
MAPT P10636 1/20 0.33
CSNK1D P48730 1/20 0.33

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 0.90 AKT1 (0.49) MAPK14ALDH1A1AKT1AKT2HTT
SCHEMBL5260161 0.87 MAPT (0.45) MAPK14ALDH1A1AKT1AKT2HTT
SCHEMBL5264566 0.85 PTGS2 (0.52) MAPK14ALDH1A1PTGS2PTGS1
SCHEMBL5261869 0.85 AKT1 (0.39) MAPK14ALDH1A1AKT1AKT2HTT
SCHEMBL5262641 0.84 ALDH1A1 (0.47) MAPK14ALDH1A1AKT1AKT2HTT
SCHEMBL5261861 0.83 AKT1 (0.45) MAPK14ALDH1A1AKT1AKT2HTT
SCHEMBL5260973 0.81 AKT1 (0.43) MAPK14ALDH1A1AKT1AKT2HTT
SCHEMBL5265447 0.80 AKT1 (0.54) MAPK14ALDH1A1AKT1AKT2KDM4E
SCHEMBL5266214 0.79 MAPK14 (0.54) MAPK14AKT1AKT2PTGS2PTGS1
SCHEMBL5263158 0.78 MAPK14 (0.45) MAPK14ALDH1A1AKT1AKT2HTT

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 MAPK14 3719/4885ALDH1A1 8/4885AKT1 3579/4885

“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.