SCHEMBL2689762

SCHEMBL2689762

CC[C@@H]1c2nnc(C)n2-c2cnc(-n3ccnc3N3C(=O)CCC3=O)nc2N1C1CCC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.49
PLK2 Q9NYY3 18/20 0.49
PLK3 Q9H4B4 8/20 0.49
BRD4 O60885 2/20 0.41

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
SCHEMBL2689773 1.00 PLK1 (0.49) PLK1PLK2PLK3BRD4
SCHEMBL1288870 0.88 PLK1 (0.49) PLK1PLK2PLK3BRD4
SCHEMBL1288864 0.88 PLK1 (0.49) PLK1PLK2PLK3BRD4
SCHEMBL2689536 0.86 BRD4 (0.47) PLK1PLK2PLK3BRD4
SCHEMBL2689550 0.86 BRD4 (0.47) PLK1PLK2PLK3BRD4
SCHEMBL1688415 0.85 PLK1 (0.49) PLK1PLK2PLK3BRD4
SCHEMBL2688441 0.85 PLK1 (0.49) PLK1PLK2PLK3BRD4
SCHEMBL2688158 0.85 PLK1 (0.54) PLK1PLK2PLK3BRD4
SCHEMBL2688161 0.85 PLK1 (0.54) PLK1PLK2PLK3BRD4
SCHEMBL1289066 0.84 PLK1 (0.55) PLK1PLK2PLK3BRD4

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-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 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-20120115848-A1 Inhibitors of Polo-Like Kinase PLK1, POLR2E, POLR2H PLK1 1/4885PLK2 19/4885PLK3 55/4885

“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.