SCHEMBL5264449

SCHEMBL5264449

COc1cccc(-c2c(-c3ccc(SC)cc3)nc3ncccn23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.50
GAA P10253 3/20 0.47
ROCK2 O75116 1/20 0.44
PIM1 P11309 1/20 0.44
GSK3B P49841 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
TEK Q02763 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 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
SCHEMBL5265470 0.96 ROCK2 (0.49) KDM4EALDH1A1RAB9ANPC1MAPT
SCHEMBL5264812 0.90 ALDH1A1 (0.64) KDM4EALDH1A1RAB9ANPC1MAPT
SCHEMBL5264443 0.89 ALDH1A1 (0.62) KDM4EALDH1A1RAB9ANPC1MAPT
SCHEMBL5259806 0.89 ALDH1A1 (0.62) KDM4EALDH1A1RAB9ANPC1MAPT
SCHEMBL5261592 0.86 AKT1 (0.46) MAPTGAAGSK3BAKT1AKT2
SCHEMBL5264844 0.85 MAPT (0.58) KDM4EALDH1A1RAB9ANPC1MAPT
SCHEMBL5263728 0.84 AKT1 (0.59) KDM4EALDH1A1RAB9ANPC1MAPT
SCHEMBL5265102 0.83 ALDH1A1 (0.51) KDM4EALDH1A1RAB9ANPC1MAPT
SCHEMBL5259830 0.83 ALDH1A1 (0.52) KDM4EALDH1A1RAB9ANPC1MAPT
SCHEMBL5263568 0.83 MAPT (0.48) KDM4EALDH1A1RAB9ANPC1MAPT

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 KDM4E 3211/4885ALDH1A1 8/4885RAB9A 3442/4885

“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.