SCHEMBL3537577

SCHEMBL3537577

CN(C)CCNC(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)CCC(=O)N3C)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 11/20 0.62
RAD52 P43351 1/20 0.61
BRD4 O60885 3/20 0.60
BRDT Q58F21 3/20 0.60
PLK3 Q9H4B4 2/20 0.56
PLK2 Q9NYY3 1/20 0.56
TTK P33981 5/20 0.54
PLK4 O00444 1/20 0.53
GAK O14976 1/20 0.53
STK33 Q9BYT3 1/20 0.53
ALK Q9UM73 1/20 0.53
MAPK7 Q13164 1/20 0.52
CCNT1 O60563 1/20 0.49
CDK4 P11802 1/20 0.49
CCND3 P30281 1/20 0.49
CDK9 P50750 1/20 0.49
IGF1R P08069 1/20 0.48

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
SCHEMBL3542341 0.96 PLK1 (0.60) PLK1RAD52BRD4BRDTPLK3
SCHEMBL3543707 0.91 PLK1 (0.63) PLK1RAD52BRD4BRDTPLK3
SCHEMBL3549824 0.90 RAD52 (0.76) PLK1RAD52BRD4BRDTPLK3
SCHEMBL1203621 0.86 PLK1 (0.74) PLK1RAD52BRD4BRDTPLK3
SCHEMBL3542042 0.86 PLK1 (0.58) PLK1RAD52BRD4BRDTPLK3
SCHEMBL3547133 0.86 RAD52 (0.74) PLK1RAD52BRD4BRDTPLK3
SCHEMBL1204198 0.86 PLK1 (0.82) PLK1RAD52BRD4BRDTPLK3
SCHEMBL3542533 0.85 PLK1 (0.71) PLK1RAD52BRD4BRDTPLK3
SCHEMBL1202863 0.84 PLK1 (0.67) PLK1RAD52BRD4BRDTPLK3
SCHEMBL1203787 0.84 PLK1 (0.74) 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.