SCHEMBL4087715

SCHEMBL4087715

CCC1CN(C2CCCC2)c2nc(Cl)ncc2N(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.41
PLK2 Q9NYY3 14/20 0.41
PLK3 Q9H4B4 12/20 0.39
BRD4 O60885 3/20 0.39
PIP4K2A P48426 1/20 0.38
PIP4K2B P78356 1/20 0.38

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
SCHEMBL4084476 0.91 PLK1 (0.39) PLK1PLK2PLK3BRD4PIP4K2A
SCHEMBL13846165 0.90 PLK1 (0.39) PLK1PLK2PLK3BRD4PIP4K2A
SCHEMBL3991420 0.88 PLK1 (0.40) PLK1PLK2PLK3BRD4PIP4K2A
SCHEMBL4079818 0.88 TTK (0.38) PLK1PLK2PLK3BRD4PIP4K2A
SCHEMBL3994540 0.87 PLK1 (0.38) PLK1PLK2PLK3BRD4PIP4K2A
SCHEMBL3988209 0.87 PLK1 (0.51) PLK1PLK2PLK3BRD4PIP4K2A
SCHEMBL4118365 0.87 PLK1 (0.51) PLK1PLK2PLK3BRD4PIP4K2A
SCHEMBL4107479 0.87 PLK1 (0.38) PLK1PLK2PLK3BRD4PIP4K2A
SCHEMBL4106803 0.86 PLK1 (0.37) PLK1PLK2PLK3BRD4PIP4K2A
SCHEMBL1203549 0.85 PIP4K2A (0.38) PLK1PLK2PLK3BRD4PIP4K2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-26 US disclosed
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 (2 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 1/4885PLK2 5/4885PLK3 17/4885
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK PLK1 1/4885PLK2 2/4885PLK3 78/4885

“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.