SCHEMBL5260973

SCHEMBL5260973

COc1ccc(-c2nc3nc(C)ccn3c2-c2ccc(SC)cc2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.43
AKT2 P31751 2/20 0.43
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
MAPK14 Q16539 2/20 0.37
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPK1 P28482 1/20 0.36
SRC P12931 2/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
KMT2A Q03164 1/20 0.35
GRM2 Q14416 1/20 0.35
TEK Q02763 1/20 0.35
MAPK13 O15264 1/20 0.34
GCGR P47871 1/20 0.34
MAPK12 P53778 1/20 0.34

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
SCHEMBL5263539 0.92 AKT1 (0.42) AKT1AKT2ALDH1A1HTTNPSR1
SCHEMBL5266100 0.88 AKT1 (0.39) AKT1AKT2ALDH1A1HTTNPSR1
SCHEMBL5265821 0.87 AKT1 (0.48) AKT1AKT2PTGS1PTGS2MAPK14
SCHEMBL5261621 0.85 AKT1 (0.41) AKT1AKT2ALDH1A1HTTNPSR1
SCHEMBL5263866 0.85 MAPT (0.53) AKT1AKT2ALDH1A1HTTNPSR1
SCHEMBL5262641 0.85 ALDH1A1 (0.47) AKT1AKT2ALDH1A1HTTNPSR1
SCHEMBL5265447 0.85 AKT1 (0.54) AKT1AKT2ALDH1A1PTGS1PTGS2
SCHEMBL5261912 0.84 AKT1 (0.47) AKT1AKT2ALDH1A1NPSR1PTGS1
SCHEMBL5265009 0.84 AKT1 (0.46) AKT1AKT2PTGS1PTGS2MAPK14
SCHEMBL5263130 0.83 AKT1 (0.43) AKT1AKT2ALDH1A1HTTNPSR1

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 3297/4885ALDH1A1 8/4885

“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.