SCHEMBL5260239

SCHEMBL5260239

COc1ccc(-c2nc3nc(C)ccn3c2-c2ccc(SC)cc2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 3/20 0.46
AKT1 P31749 2/20 0.39
AKT2 P31751 2/20 0.39
CRHR1 P34998 5/20 0.37
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
MAPK14 Q16539 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
SCHEMBL5263186 0.89 TEK (0.40) TEKAKT1AKT2PTGS1PTGS2
SCHEMBL5261380 0.86 MAPT (0.50) TEKAKT1AKT2PTGS1PTGS2
SCHEMBL5261912 0.86 AKT1 (0.47) TEKAKT1AKT2PTGS1PTGS2
SCHEMBL5265009 0.83 AKT1 (0.46) TEKAKT1AKT2PTGS1PTGS2
SCHEMBL5261592 0.81 AKT1 (0.46) TEKAKT1AKT2PTGS1PTGS2
SCHEMBL5260973 0.81 AKT1 (0.43) TEKAKT1AKT2PTGS1PTGS2
SCHEMBL5263539 0.80 AKT1 (0.42) TEKAKT1AKT2PTGS1PTGS2
SCHEMBL5265447 0.80 AKT1 (0.54) AKT1AKT2PTGS1PTGS2MAPT
SCHEMBL5261861 0.76 AKT1 (0.45) AKT1AKT2PTGS1PTGS2MAPT
SCHEMBL5264520 0.76 AKT1 (0.45) AKT1AKT2PTGS1PTGS2MAPT

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 TEK 3673/4885AKT1 3579/4885AKT2 3297/4885

“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.