SCHEMBL5263795

SCHEMBL5263795

COc1ccc(-c2nc3nc(C)ccn3c2-c2cccc(OC)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.49
AKT2 P31751 3/20 0.49
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
TNK2 Q07912 1/20 0.44
MAPK14 Q16539 2/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NPC1 O15118 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL5261592 0.91 AKT1 (0.46) AKT1AKT2MAPTTP53POLB
SCHEMBL5264051 0.90 MAPK14 (0.48) AKT1AKT2MAPTTP53POLB
SCHEMBL5265009 0.86 AKT1 (0.46) AKT1AKT2MAPTTNK2MAPK14
SCHEMBL5789311 0.83 GAA (0.43) AKT1AKT2MAPTTP53POLB
SCHEMBL5264812 0.83 ALDH1A1 (0.64) AKT1AKT2MAPTPOLBGAA
SCHEMBL5264876 0.82 AKT1 (0.51) AKT1AKT2MAPTTP53MAPK14
SCHEMBL5262073 0.82 AKT1 (0.48) AKT1AKT2MAPTTP53POLB
SCHEMBL5263504 0.82 AKT1 (0.42) AKT1AKT2MAPTTP53POLB
SCHEMBL5263328 0.82 SYK (0.42) AKT1AKT2MAPTTP53POLB
SCHEMBL5265820 0.82 NR1H4 (0.48) AKT1AKT2MAPTTP53POLB

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 3297/4885MAPT 4658/4885

“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.