SCHEMBL5265058

SCHEMBL5265058

Cc1ccn2c(-c3ccc(Br)cc3)c(-c3ccc([S+](C)[O-])cc3)nc2n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.49
AKT2 P31751 13/20 0.49
MAPK14 Q16539 4/20 0.38
MAPK13 O15264 2/20 0.37
MAPK12 P53778 2/20 0.37
MAPK11 Q15759 2/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
IDO1 P14902 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
SCHEMBL5265191 0.89 AKT1 (0.61) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5262246 0.89 AKT1 (0.61) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5264263 0.88 MAPK14 (0.50) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5261530 0.86 AKT1 (0.47) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5261484 0.84 AKT1 (0.48) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5261444 0.81 MAPK14 (0.42) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5262399 0.81 AKT1 (0.49) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5263237 0.81 AKT1 (0.43) AKT1AKT2MAPK14MAPK13MAPK12
SCHEMBL5263130 0.81 AKT1 (0.43) AKT1AKT2MAPK14KDM4ENPC1
SCHEMBL5261876 0.80 ALDH1A1 (0.41) 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 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.