SCHEMBL2339739

SCHEMBL2339739

CCC1C(=O)N(C)c2cnc(N3CCCC3)nc2N1C1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.66
PLK2 Q9NYY3 16/20 0.66
PLK3 Q9H4B4 13/20 0.63
BRD4 O60885 4/20 0.53
TAF1 P21675 1/20 0.52
ALK Q9UM73 1/20 0.51

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
SCHEMBL2026743 1.00 PLK1 (0.66) PLK1PLK2PLK3BRD4TAF1
SCHEMBL2027430 0.99 PLK1 (0.65) PLK1PLK2PLK3BRD4TAF1
SCHEMBL2346641 0.99 PLK1 (0.65) PLK1PLK2PLK3BRD4TAF1
SCHEMBL2343357 0.94 PLK1 (0.64) PLK1PLK2PLK3BRD4TAF1
SCHEMBL2343367 0.94 PLK1 (0.64) PLK1PLK2PLK3BRD4TAF1
SCHEMBL2336500 0.87 PLK2 (0.69) PLK1PLK2PLK3BRD4TAF1
SCHEMBL2029863 0.87 PLK1 (0.57) PLK1PLK2PLK3BRD4TAF1
SCHEMBL2341370 0.87 PLK1 (0.57) PLK1PLK2PLK3BRD4TAF1
SCHEMBL2336492 0.87 PLK2 (0.69) PLK1PLK2PLK3BRD4TAF1
SCHEMBL2027378 0.86 PLK1 (0.58) PLK1PLK2PLK3BRD4TAF1

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
EP-2516441-B1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-01-21 EP disclosed
US-20130331376-A1 INHIBITORS OF POLO-LIKE KINASE Elan Corporation, Inc. (US) 2013-12-12 US disclosed
US-8541418-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICAL, INC. (US) 2013-09-24 US disclosed
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-08-25 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-20130331376-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E PLK1 1/4885PLK2 22/4885PLK3 101/4885
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E PLK1 1/4885PLK2 22/4885PLK3 101/4885

“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.