SCHEMBL5259704

SCHEMBL5259704

CCOc1ccc(-c2c(-c3ccc(SC)cc3)nc3ncccn23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 3/20 0.48
AKT1 P31749 4/20 0.45
AKT2 P31751 3/20 0.45
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
GAA P10253 4/20 0.43
ROCK2 O75116 1/20 0.43
PIM1 P11309 1/20 0.43
GSK3B P49841 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
GLA P06280 1/20 0.41
KCNK3 O14649 2/20 0.41
KCNK9 Q9NPC2 2/20 0.41
HPGD P15428 1/20 0.37
MITF O75030 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL5261642 1.00 MAPT (0.49) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL5264844 0.89 MAPT (0.58) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL5264443 0.88 ALDH1A1 (0.62) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL5259806 0.88 ALDH1A1 (0.62) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL5263728 0.86 AKT1 (0.59) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL5261861 0.85 AKT1 (0.45) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL9292401 0.84 MAPT (0.54) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL5261337 0.83 MAPT (0.53) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL6102319 0.83 MAPT (0.53) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL5261906 0.83 GAA (0.61) MAPTKDM4EALDH1A1RAB9ANPC1

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 MAPT 4658/4885KDM4E 3211/4885ALDH1A1 8/4885

“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.