SCHEMBL5261602

SCHEMBL5261602

CSc1ccc(-c2c(-c3ccc(SC(C)C)c(Cl)c3)nc3ncccn23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
ROCK2 O75116 3/20 0.44
GSK3B P49841 3/20 0.44
PIM1 P11309 2/20 0.44
KDM4E B2RXH2 4/20 0.40
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GLA P06280 1/20 0.40
AKT1 P31749 2/20 0.39
AKT2 P31751 2/20 0.39
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
AURKB Q96GD4 2/20 0.37
CDC7 O00311 1/20 0.37
MAPK13 O15264 1/20 0.37
DAPK3 O43293 1/20 0.37
DYRK3 O43781 1/20 0.37
RPS6KA5 O75582 1/20 0.37

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
SCHEMBL5262188 0.96 MAPT (0.47) MAPTROCK2GSK3BPIM1KDM4E
SCHEMBL5266423 0.90 ROCK2 (0.45) MAPTROCK2GSK3BPIM1KDM4E
SCHEMBL5263051 0.86 MAPT (0.51) MAPTROCK2GSK3BPIM1KDM4E
SCHEMBL5261650 0.86 ROCK2 (0.46) MAPTROCK2GSK3BPIM1KDM4E
SCHEMBL5263379 0.86 AKT1 (0.39) MAPTAKT1AKT2PTGS1PTGS2
SCHEMBL5261473 0.86 GAA (0.44) MAPTROCK2GSK3BPIM1KDM4E
SCHEMBL5261022 0.83 ALDH1A1 (0.53) MAPTROCK2GSK3BPIM1KDM4E
SCHEMBL5260859 0.82 MAPK14 (0.42) MAPTKDM4EAKT1AKT2PTGS1
SCHEMBL5264844 0.81 MAPT (0.58) MAPTROCK2GSK3BPIM1KDM4E
SCHEMBL5263711 0.81 GAA (0.53) MAPTROCK2GSK3BPIM1KDM4E

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 4658/4885ROCK2 4845/4885GSK3B 4251/4885

“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.