SCHEMBL4084476

SCHEMBL4084476

CCCC1CN(C2CCCC2)c2nc(Cl)ncc2N(C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.39
PLK2 Q9NYY3 11/20 0.38
PIP4K2A P48426 1/20 0.37
PIP4K2B P78356 1/20 0.37
PLK3 Q9H4B4 9/20 0.36
BRD4 O60885 4/20 0.36
STK4 Q13043 1/20 0.35
BRDT Q58F21 1/20 0.34
TTK P33981 1/20 0.33

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
SCHEMBL4087715 0.91 PLK1 (0.41) PLK1PLK2PIP4K2APIP4K2BPLK3
SCHEMBL3991420 0.90 PLK1 (0.40) PLK1PLK2PIP4K2APIP4K2BPLK3
SCHEMBL13846165 0.88 PLK1 (0.39) PLK1PLK2PIP4K2APIP4K2BPLK3
SCHEMBL23428603 0.87 PLK1 (0.39) PLK1PLK2PIP4K2APIP4K2BPLK3
SCHEMBL3988209 0.85 PLK1 (0.51) PLK1PLK2PIP4K2APIP4K2BPLK3
SCHEMBL4107479 0.85 PLK1 (0.38) PLK1PLK2PIP4K2APIP4K2BPLK3
SCHEMBL3994540 0.85 PLK1 (0.38) PLK1PLK2PIP4K2APIP4K2BPLK3
SCHEMBL19103346 0.85 PLK1 (0.44) PLK1PLK2PIP4K2APIP4K2BPLK3
SCHEMBL4118365 0.85 PLK1 (0.51) PLK1PLK2PIP4K2APIP4K2BPLK3
SCHEMBL4106803 0.84 PLK1 (0.37) PLK1PLK2PIP4K2APIP4K2BPLK3

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 1/4885PLK2 5/4885PIP4K2A 208/4885

“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.