SCHEMBL5265852

SCHEMBL5265852

CSc1ccc(-c2c(-c3cccc(C)c3)nc3nc(C)ccn23)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.43
AKT2 P31751 5/20 0.43
MAPK14 Q16539 4/20 0.39
IDO1 P14902 1/20 0.37
NR1I3 Q14994 1/20 0.36
MAPK13 O15264 2/20 0.34
MAPK12 P53778 2/20 0.34
MAPK11 Q15759 2/20 0.34
TGFBR1 P36897 2/20 0.33
RAB9A P51151 1/20 0.32
TGFBR2 P37173 1/20 0.31
ROCK2 O75116 1/20 0.31
PIM1 P11309 1/20 0.31
GSK3B P49841 1/20 0.31
PTGS1 P23219 2/20 0.31
PTGS2 P35354 2/20 0.31
DPP4 P27487 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
SCHEMBL5261768 0.87 ROCK2 (0.45) AKT1AKT2IDO1TGFBR1RAB9A
SCHEMBL5263277 0.84 AKT1 (0.42) AKT1AKT2MAPK14NR1I3MAPK13
SCHEMBL5265135 0.83 KDM4E (0.41) AKT1AKT2MAPK14RAB9A
SCHEMBL5261672 0.74 AKT1 (0.44) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5263026 0.73 AKT1 (0.43) AKT1AKT2MAPK14NR1I3MAPK13
SCHEMBL5263158 0.72 MAPK14 (0.45) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL6101558 0.72 AKT1 (0.47) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5262731 0.72 AKT1 (0.47) AKT1AKT2MAPK14NR1I3MAPK13
SCHEMBL5261962 0.72 AKT1 (0.43) AKT1AKT2MAPK14NR1I3MAPK13
SCHEMBL5261536 0.72 GAA (0.54) AKT1AKT2NR1I3RAB9AROCK2

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.