SCHEMBL3544005

SCHEMBL3544005

CN1C(=O)C(C)(C)CN(C2CCCC2)c2nc(Nc3ccc(C(=O)NCC(C)(C)CN4CCCC4)cc3Cl)ncc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 16/20 0.50
BRD4 O60885 4/20 0.50
BRDT Q58F21 4/20 0.50
ALK Q9UM73 1/20 0.45
RAD52 P43351 1/20 0.44
LRRK2 Q5S007 1/20 0.44
PLK3 Q9H4B4 1/20 0.43
PLK2 Q9NYY3 1/20 0.43

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
SCHEMBL3538543 0.92 PLK1 (0.61) PLK1BRD4BRDTALKRAD52
SCHEMBL3550663 0.84 PLK1 (0.60) PLK1BRD4BRDTALKRAD52
SCHEMBL3543782 0.84 PLK1 (0.60) PLK1BRD4BRDTRAD52PLK3
SCHEMBL3546665 0.84 PLK1 (0.62) PLK1BRD4BRDTALKRAD52
SCHEMBL3543737 0.84 PLK1 (0.55) PLK1BRD4BRDTALKRAD52
SCHEMBL2397899 0.83 PLK1 (0.62) PLK1BRD4BRDTALKRAD52
SCHEMBL3543478 0.83 PLK1 (0.54) PLK1BRD4BRDTALKRAD52
SCHEMBL3548023 0.83 PLK1 (0.48) PLK1BRD4BRDTALKRAD52
SCHEMBL3545374 0.82 PLK1 (0.54) PLK1BRD4BRDTALKRAD52
SCHEMBL3544894 0.82 PLK1 (0.60) PLK1BRD4BRDTRAD52PLK3

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 847/4885BRD4 2662/4885BRDT 3116/4885

“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.