SCHEMBL13342005

SCHEMBL13342005

COc1cc(C)ccc1Nc1ncc2c(n1)N(C1CCCC1)CCC(=O)N2C

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 11/20 0.75
TTK P33981 7/20 0.75
RAD52 P43351 1/20 0.70
PLK4 O00444 1/20 0.65
GAK O14976 1/20 0.65
STK33 Q9BYT3 1/20 0.65
PLK3 Q9H4B4 1/20 0.65
BRD4 O60885 4/20 0.60
BRDT Q58F21 4/20 0.60
MAPK7 Q13164 2/20 0.53
LRRK2 Q5S007 1/20 0.53
ALK Q9UM73 1/20 0.52

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
SCHEMBL1203299 0.91 PLK1 (0.75) PLK1TTKRAD52PLK4GAK
SCHEMBL14313609 0.90 PLK1 (0.77) PLK1TTKRAD52PLK4GAK
SCHEMBL2396448 0.89 PLK1 (0.72) PLK1TTKRAD52PLK4GAK
SCHEMBL1203517 0.88 PLK1 (0.81) PLK1TTKRAD52PLK4GAK
SCHEMBL3539750 0.88 PLK1 (0.79) PLK1TTKRAD52PLK4GAK
SCHEMBL4076417 0.87 PLK1 (0.70) PLK1TTKRAD52PLK4GAK
SCHEMBL1203678 0.87 PLK1 (0.78) PLK1TTKRAD52PLK4GAK
SCHEMBL3673685 0.87 RAD52 (0.82) PLK1TTKRAD52PLK4GAK
SCHEMBL1204085 0.87 PLK1 (0.82) PLK1TTKRAD52PLK4GAK
SCHEMBL3667826 0.86 PLK1 (0.79) PLK1TTKRAD52PLK4GAK

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
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 PLK1 847/4885TTK 4453/4885RAD52 4730/4885

“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.