SCHEMBL6101558

SCHEMBL6101558

CSc1ccc(-c2c(-c3cccc(F)c3)nc3nc(C)ccn23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.47
AKT2 P31751 3/20 0.47
MAPK14 Q16539 8/20 0.46
MAPK13 O15264 5/20 0.46
MAPK12 P53778 5/20 0.46
MAPK11 Q15759 5/20 0.46
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45
GCGR P47871 2/20 0.41
GRIA1 P42261 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ROCK2 O75116 1/20 0.35
PIM1 P11309 1/20 0.35

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
SCHEMBL5266214 0.87 MAPK14 (0.54) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5262731 0.86 AKT1 (0.47) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5263137 0.85 AKT1 (0.62) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5265616 0.85 AKT1 (0.62) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5261345 0.85 ROCK2 (0.51) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5265447 0.85 AKT1 (0.54) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5265009 0.84 AKT1 (0.46) AKT1AKT2MAPK14PTGS1PTGS2
SCHEMBL5264051 0.81 MAPK14 (0.48) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5261592 0.80 AKT1 (0.46) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5263183 0.79 AKT1 (0.49) AKT1AKT2MAPK14MAPK13MAPK12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.