SCHEMBL5263728

SCHEMBL5263728

CSc1ccc(-c2nc3ncccn3c2-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.59
AKT2 P31751 3/20 0.59
PTGS1 P23219 2/20 0.58
PTGS2 P35354 2/20 0.58
ROCK2 O75116 1/20 0.57
PIM1 P11309 1/20 0.57
GSK3B P49841 1/20 0.57
MAPT P10636 2/20 0.55
GAA P10253 4/20 0.50
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 2/20 0.47
GLA P06280 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL5264844 0.96 MAPT (0.58) AKT1AKT2PTGS1PTGS2ROCK2
SCHEMBL9292401 0.91 MAPT (0.54) AKT1AKT2PTGS1PTGS2ROCK2
SCHEMBL6102319 0.90 MAPT (0.53) AKT1AKT2PTGS1PTGS2ROCK2
SCHEMBL5261906 0.90 GAA (0.61) AKT1AKT2PTGS1PTGS2ROCK2
SCHEMBL5261337 0.90 MAPT (0.53) AKT1AKT2PTGS1PTGS2ROCK2
SCHEMBL5266872 0.90 MAPT (0.53) AKT1AKT2PTGS1PTGS2ROCK2
SCHEMBL5259806 0.88 ALDH1A1 (0.62) AKT1AKT2PTGS1PTGS2ROCK2
SCHEMBL5264443 0.88 ALDH1A1 (0.62) AKT1AKT2PTGS1PTGS2ROCK2
SCHEMBL13820894 0.87 AKT1 (0.67) AKT1AKT2ROCK2PIM1GSK3B
SCHEMBL5265676 0.87 MAPT (0.50) AKT1AKT2PTGS1PTGS2ROCK2

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 3297/4885PTGS1 596/4885

“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.