SCHEMBL3547694

SCHEMBL3547694

COc1cc(C(=O)N[C@@H]2CCN(C)C2)ccc1Nc1ncc2c(n1)N(C(C)C)CC(C)(C)C(=O)N2C

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.66
BRD4 O60885 12/20 0.66
BRDT Q58F21 6/20 0.66
DCLK1 O15075 2/20 0.61
LRRK2 Q5S007 2/20 0.61
MAPK7 Q13164 1/20 0.61
RAD52 P43351 1/20 0.59
PLK3 Q9H4B4 1/20 0.57

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
SCHEMBL4111700 0.96 PLK1 (0.72) PLK1BRD4BRDTDCLK1LRRK2
SCHEMBL3547749 0.94 PLK1 (0.61) PLK1BRD4BRDTDCLK1LRRK2
SCHEMBL3543178 0.90 PLK1 (0.64) PLK1BRD4BRDTDCLK1LRRK2
SCHEMBL1560566 0.89 PLK1 (0.80) PLK1BRD4BRDTDCLK1LRRK2
SCHEMBL4302524 0.89 PLK1 (0.81) PLK1BRD4BRDTRAD52PLK3
SCHEMBL2396452 0.89 PLK1 (0.81) PLK1BRD4BRDTRAD52PLK3
SCHEMBL2396449 0.89 PLK1 (0.81) PLK1BRD4BRDTRAD52PLK3
SCHEMBL3543832 0.88 PLK1 (0.68) PLK1BRD4BRDTPLK3
SCHEMBL12880122 0.88 PLK1 (0.71) PLK1BRD4BRDTDCLK1LRRK2
SCHEMBL2397069 0.87 PTK2 (0.58) PLK1BRD4BRDTDCLK1LRRK2

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.