SCHEMBL1688433

SCHEMBL1688433

CC[C@@]12CCCN1c1nc(-c3cn[nH]c3-c3nccs3)ncc1-n1c(C)nnc12

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.45
PLK2 Q9NYY3 5/20 0.45
PLK3 Q9H4B4 1/20 0.45

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
SCHEMBL2689522 0.89 PLK1 (0.47) PLK1PLK2PLK3
SCHEMBL2689499 0.89 PLK1 (0.47) PLK1PLK2PLK3
SCHEMBL2689496 0.87 PLK1 (0.45) PLK1PLK2PLK3
SCHEMBL1688419 0.85 MAPK14 (0.33) PLK1PLK2
SCHEMBL1288851 0.85 MAPK14 (0.33) PLK1PLK2
SCHEMBL2688229 0.84 PLK1 (0.47) PLK1PLK2PLK3
SCHEMBL2050260 0.83 PLK1 (0.56) PLK1PLK2PLK3
SCHEMBL2050256 0.83 PLK1 (0.56) PLK1PLK2PLK3
SCHEMBL2688787 0.77 PLK1 (0.47) PLK1PLK2PLK3
SCHEMBL1688426 0.77 PLK1 (0.47) PLK1PLK2PLK3

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 4 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
US-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
WO-2012048129-A2 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2012-04-12 WO 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.