SCHEMBL5261345

SCHEMBL5261345

CSc1ccc(-c2c(-c3cccc(F)c3)nc3ncccn23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.51
PIM1 P11309 1/20 0.51
GSK3B P49841 1/20 0.51
MAPT P10636 4/20 0.49
MAPK14 Q16539 4/20 0.47
MAPK13 O15264 3/20 0.47
MAPK12 P53778 3/20 0.47
MAPK11 Q15759 3/20 0.47
AKT1 P31749 1/20 0.45
AKT2 P31751 1/20 0.45
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
KLK7 P49862 1/20 0.43
GRIA1 P42261 1/20 0.41
GCGR P47871 2/20 0.41
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL6102319 0.88 MAPT (0.53) ROCK2PIM1GSK3BMAPTMAPK14
SCHEMBL5264844 0.87 MAPT (0.58) ROCK2PIM1GSK3BMAPTMAPK14
SCHEMBL5263711 0.86 GAA (0.53) ROCK2PIM1GSK3BMAPTAKT1
SCHEMBL5263728 0.86 AKT1 (0.59) ROCK2PIM1GSK3BMAPTMAPK14
SCHEMBL6101558 0.85 AKT1 (0.47) ROCK2PIM1GSK3BMAPTMAPK14
SCHEMBL5265470 0.84 ROCK2 (0.49) ROCK2PIM1GSK3BMAPTAKT1
SCHEMBL9292401 0.82 MAPT (0.54) ROCK2PIM1GSK3BMAPTMAPK14
SCHEMBL5261337 0.81 MAPT (0.53) ROCK2PIM1GSK3BMAPTAKT1
SCHEMBL5261906 0.81 GAA (0.61) ROCK2PIM1GSK3BMAPTAKT1
SCHEMBL5266872 0.81 MAPT (0.53) ROCK2PIM1GSK3BMAPTAKT1

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 ROCK2 4845/4885PIM1 1850/4885GSK3B 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.