SCHEMBL3540293

SCHEMBL3540293

COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(C)(C)C(=O)N2C

nearest known ligand 0.88

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.88
BRD4 O60885 2/20 0.69
BRDT Q58F21 2/20 0.69
PLK3 Q9H4B4 3/20 0.61
PLK2 Q9NYY3 3/20 0.61
RAD52 P43351 1/20 0.60

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
SCHEMBL3546555 0.96 PLK1 (0.83) PLK1BRD4BRDTPLK3PLK2
Tak-960 SCHEMBL30047124 0.94 PLK1 (1.00) PLK1BRD4BRDTPLK3PLK2
Tak-960 SCHEMBL1560793 0.94 PLK1 (1.00) PLK1BRD4BRDTPLK3PLK2
Tak-960 SCHEMBL29361245 0.94 PLK1 (1.00) PLK1BRD4BRDTPLK3PLK2
Tak-960 SCHEMBL23277130 0.93 PLK1 (0.99) PLK1BRD4BRDTPLK3PLK2
Tak-960 SCHEMBL30046005 0.93 PLK1 (0.99) PLK1BRD4BRDTPLK3PLK2
Tak-960 SCHEMBL30237758 0.93 PLK1 (0.99) PLK1BRD4BRDTPLK3PLK2
SCHEMBL3549236 0.93 PLK1 (0.76) PLK1BRD4BRDTPLK3PLK2
SCHEMBL3544305 0.91 PLK1 (0.74) PLK1BRD4BRDTPLK3PLK2
SCHEMBL1675685 0.91 PLK1 (0.84) PLK1BRD4BRDTPLK3PLK2

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.