SCHEMBL4085812

SCHEMBL4085812

COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCC(C)C1)CCC(=O)N2C

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 15/20 0.69
RAD52 P43351 2/20 0.68
TTK P33981 4/20 0.61
BRD4 O60885 8/20 0.59
BRDT Q58F21 8/20 0.59
PLK4 O00444 1/20 0.54
GAK O14976 1/20 0.54
STK33 Q9BYT3 1/20 0.54
PLK3 Q9H4B4 1/20 0.54

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
SCHEMBL1203517 0.91 PLK1 (0.81) PLK1RAD52TTKBRD4BRDT
SCHEMBL3667826 0.91 PLK1 (0.79) PLK1RAD52TTKBRD4BRDT
SCHEMBL4079449 0.90 PLK1 (0.85) PLK1RAD52TTKBRD4BRDT
SCHEMBL3673685 0.90 RAD52 (0.82) PLK1RAD52TTKBRD4BRDT
SCHEMBL4076281 0.88 PLK1 (0.68) PLK1RAD52TTKBRD4BRDT
SCHEMBL1675607 0.85 PLK1 (0.69) PLK1RAD52BRD4BRDT
SCHEMBL3539750 0.85 PLK1 (0.79) PLK1RAD52TTKBRD4BRDT
SCHEMBL3669258 0.85 PLK1 (0.67) PLK1RAD52TTKBRD4BRDT
SCHEMBL1204202 0.84 PLK1 (0.94) PLK1RAD52BRD4BRDTPLK3
SCHEMBL3540809 0.84 PLK1 (0.74) PLK1RAD52TTKBRD4BRDT

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-7517873-B2 Substituted pyrimidodiazepines HOFFMAN-LA ROCHE INC. (US) 2009-04-14 US disclosed
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 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-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES PLK1, CCNI, CDK1 PLK1 1/4885RAD52 2632/4885TTK 220/4885

“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.