SCHEMBL3545297

SCHEMBL3545297

CCN1CCC(NC(=O)c2ccc(Nc3ncc4c(n3)N(C3CCCC3)CC3(CC3)C(=O)N4C)c(Cl)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 15/20 0.62
BRD4 O60885 6/20 0.61
BRDT Q58F21 5/20 0.61
ALK Q9UM73 2/20 0.57
PLK3 Q9H4B4 4/20 0.55
RAD52 P43351 1/20 0.54
PLK2 Q9NYY3 3/20 0.52
PIK3CD O00329 1/20 0.52
PDXK O00764 1/20 0.52
CIT O14578 1/20 0.52
RIOK3 O14730 1/20 0.52
GAK O14976 1/20 0.52
DCLK1 O15075 1/20 0.52
DAPK3 O43293 1/20 0.52
RPS6KA5 O75582 1/20 0.52
RPS6KA4 O75676 1/20 0.52
STK16 O75716 1/20 0.52
STK10 O94804 1/20 0.52
PRKD3 O94806 1/20 0.52
CHEK2 O96017 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
SCHEMBL3549849 0.92 PLK1 (0.64) PLK1BRD4BRDTALKPLK3
SCHEMBL3547869 0.91 PLK1 (0.74) PLK1BRD4BRDTALKPLK3
SCHEMBL3541399 0.91 PLK1 (0.74) PLK1BRD4BRDTALKPLK3
SCHEMBL3543888 0.88 PLK1 (0.58) PLK1BRD4BRDTALKPLK3
SCHEMBL3546440 0.88 PLK1 (0.63) PLK1BRD4BRDTALKPLK3
SCHEMBL3545374 0.88 PLK1 (0.54) PLK1BRD4BRDTALKPLK3
SCHEMBL12880368 0.88 PLK1 (0.71) PLK1BRD4BRDTALKPLK3
SCHEMBL3542533 0.88 PLK1 (0.71) PLK1BRD4BRDTALKPLK3
SCHEMBL3542113 0.87 PLK1 (0.71) PLK1BRD4BRDTALKPLK3
SCHEMBL3541526 0.87 PLK1 (0.70) PLK1BRD4BRDTALKPLK3

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.