SCHEMBL3541304

SCHEMBL3541304

CCC1(CC)CN(C(C)C)c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)ncc2N(C)C1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 16/20 0.71
BRD4 O60885 14/20 0.71
BRDT Q58F21 5/20 0.69
PLK3 Q9H4B4 3/20 0.64
DCLK1 O15075 3/20 0.64
DAPK3 O43293 2/20 0.64
PRKD3 O94806 2/20 0.64
CHEK2 O96017 2/20 0.64
EGFR P00533 2/20 0.64
FES P07332 2/20 0.64
PHKG2 P15735 2/20 0.64
CSNK1D P48730 2/20 0.64
CLK2 P49760 2/20 0.64
NEK2 P51955 2/20 0.64
PTK2 Q05397 2/20 0.64
CAMK2B Q13554 2/20 0.64
CAMK2G Q13555 2/20 0.64
CAMK2D Q13557 2/20 0.64
PTK2B Q14289 2/20 0.64
MINK1 Q8N4C8 2/20 0.64

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
SCHEMBL3548830 0.94 PLK1 (0.63) PLK1BRD4BRDTPLK3DCLK1
SCHEMBL4111700 0.91 PLK1 (0.72) PLK1BRD4BRDTPLK3DCLK1
SCHEMBL12880122 0.90 PLK1 (0.71) PLK1BRD4BRDTPLK3DCLK1
SCHEMBL1560566 0.90 PLK1 (0.80) PLK1BRD4BRDTDCLK1LRRK2
SCHEMBL3539782 0.89 PLK1 (0.85) PLK1BRD4BRDTPLK3DCLK1
SCHEMBL3543178 0.87 PLK1 (0.64) PLK1BRD4BRDTPLK3DCLK1
SCHEMBL3547694 0.86 PLK1 (0.66) PLK1BRD4BRDTPLK3DCLK1
SCHEMBL1203486 0.86 PLK1 (0.77) PLK1BRD4BRDTPLK3DCLK1
SCHEMBL3539560 0.84 PLK1 (0.74) PLK1BRD4BRDTPLK3DCLK1
SCHEMBL3547749 0.84 PLK1 (0.61) PLK1BRD4BRDTPLK3DCLK1

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.