SCHEMBL5263969

SCHEMBL5263969

CCC[S+]([O-])c1ccc(-c2c(-c3ccc(OC)cc3)nc3nc(C)ccn23)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.36
AKT2 P31751 2/20 0.36
GRM2 Q14416 1/20 0.35
MAPK14 Q16539 1/20 0.35
NR1I3 Q14994 4/20 0.35
SYK P43405 2/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
TSPO P30536 2/20 0.33
TP53 P04637 2/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL5261963 0.88 AKT1 (0.39) AKT1AKT2MAPK14NR1I3SYK
SCHEMBL5263582 0.86 ALDH1A1 (0.49) AKT1AKT2GRM2NR1I3RAB9A
SCHEMBL5264247 0.84 AKT1 (0.41) AKT1AKT2MAPK14NR1I3SYK
SCHEMBL5263328 0.80 SYK (0.42) AKT1AKT2MAPK14SYKAURKB
SCHEMBL5803806 0.79 AKT1 (0.41) AKT1AKT2MAPK14NR1I3SYK
SCHEMBL5267408 0.79 AKT1 (0.38) AKT1AKT2GRM2MAPK14NR1I3
SCHEMBL5261110 0.79 AKT1 (0.38) AKT1AKT2MAPK14NR1I3SYK
SCHEMBL5260224 0.78 AKT1 (0.41) AKT1AKT2MAPK14NR1I3SYK
SCHEMBL5260415 0.78 MAPK14 (0.41) AKT1AKT2MAPK14SYKAURKB
SCHEMBL5265356 0.77 GAA (0.41) AKT1AKT2NR1I3RAB9ANPC1

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 3297/4885GRM2 3873/4885

“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.