SCHEMBL6102455

SCHEMBL6102455

CCOc1ccc(-c2nc3nc(C)ccn3c2-c2ccccc2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 11/20 0.49
AKT2 P31751 10/20 0.49
MAPK14 Q16539 3/20 0.46
ROCK2 O75116 1/20 0.39
PIM1 P11309 1/20 0.39
GSK3B P49841 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
FAAH O00519 1/20 0.37
MAPT P10636 1/20 0.37
MAPK13 O15264 2/20 0.37
MAPK12 P53778 2/20 0.37
MAPK11 Q15759 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5263570 0.90 MAPK14 (0.39) AKT1AKT2MAPK14KDM4EALDH1A1
SCHEMBL5264566 0.87 PTGS2 (0.52) MAPK14ALDH1A1
SCHEMBL5261869 0.87 AKT1 (0.39) AKT1AKT2MAPK14KDM4EALDH1A1
SCHEMBL23407549 0.78 KLK7 (0.46) AKT1AKT2MAPK14ROCK2PIM1
SCHEMBL29620846 0.78 KLK7 (0.46) AKT1AKT2MAPK14ROCK2PIM1
SCHEMBL5260161 0.78 MAPT (0.45) AKT1AKT2MAPK14ROCK2PIM1
SCHEMBL5260974 0.75 PTGS2 (0.52) AKT1AKT2ROCK2PIM1GSK3B
SCHEMBL5264075 0.75 ROCK2 (0.42) AKT1AKT2ROCK2PIM1GSK3B
SCHEMBL5262641 0.73 ALDH1A1 (0.47) AKT1AKT2MAPK14KDM4EALDH1A1
SCHEMBL5265821 0.73 AKT1 (0.48) AKT1AKT2MAPK14ROCK2PIM1

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.