SCHEMBL3547772

SCHEMBL3547772

COc1cc(C(=O)N[C@@H]2CCN(C)C2)c(F)cc1Nc1ncc2c(n1)N(C1CCCCC1)CCC(=O)N2C

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 15/20 0.73
RAD52 P43351 1/20 0.71
BRD4 O60885 3/20 0.60
BRDT Q58F21 3/20 0.60
PLK3 Q9H4B4 1/20 0.57
PLK2 Q9NYY3 1/20 0.57
TTK P33981 2/20 0.57
ALK Q9UM73 1/20 0.53

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
SCHEMBL3546989 0.93 RAD52 (0.64) PLK1RAD52BRD4BRDTPLK3
SCHEMBL3542083 0.92 PLK1 (0.64) PLK1RAD52BRD4BRDTPLK3
SCHEMBL3547775 0.91 PLK1 (0.73) PLK1RAD52BRD4BRDTTTK
SCHEMBL3549242 0.90 PLK1 (0.68) PLK1RAD52BRD4BRDTPLK3
SCHEMBL3546233 0.90 PLK1 (0.66) PLK1RAD52BRD4BRDTPLK3
SCHEMBL3544699 0.90 PLK1 (0.61) PLK1RAD52BRD4BRDTPLK3
SCHEMBL3545757 0.89 RAD52 (0.70) PLK1RAD52BRD4BRDTPLK3
SCHEMBL3546555 0.88 PLK1 (0.83) PLK1RAD52BRD4BRDTPLK3
SCHEMBL3539574 0.88 PLK1 (0.81) PLK1RAD52BRD4BRDTPLK3
SCHEMBL3549651 0.87 RAD52 (0.92) PLK1RAD52BRD4BRDTPLK3

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 847/4885RAD52 4730/4885BRD4 2662/4885

“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.