SCHEMBL2052780

SCHEMBL2052780

CCC1C(=O)N(C)c2cnc(-c3cn[nH]c3-c3nccs3)nc2N1c1cccc(C#N)c1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLK2 Q9NYY3 17/20 0.72
PLK1 P53350 17/20 0.72
PLK3 Q9H4B4 2/20 0.65
BRD4 O60885 1/20 0.34
ALK Q9UM73 1/20 0.34
PIK3CD O00329 1/20 0.32

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
SCHEMBL2049848 0.92 PLK2 (0.75) PLK2PLK1PLK3
SCHEMBL6844660 0.86 PLK1 (0.52) PLK2PLK1PLK3PIK3CD
SCHEMBL2047202 0.86 PLK2 (0.75) PLK2PLK1PLK3
SCHEMBL2047203 0.86 PLK2 (0.75) PLK2PLK1PLK3
SCHEMBL2048799 0.86 PLK2 (0.75) PLK2PLK1PLK3
SCHEMBL2688044 0.85 PLK1 (0.52) PLK2PLK1PLK3BRD4
SCHEMBL2689987 0.85 PLK1 (0.52) PLK2PLK1PLK3BRD4
SCHEMBL2052459 0.85 PLK2 (0.78) PLK2PLK1PLK3
SCHEMBL2052461 0.85 PLK2 (0.78) PLK2PLK1PLK3
SCHEMBL2340493 0.85 PLK2 (0.78) PLK2PLK1PLK3

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 11 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
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-8541418-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICAL, INC. (US) 2013-09-24 US disclosed
US-8541418-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICAL, INC. (US) 2013-09-24 US disclosed
EP-2516441-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE Elan Pharmaceuticals Inc. (US) 2012-10-31 EP disclosed
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-08-25 US disclosed
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-08-25 US disclosed
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-08-25 US disclosed
WO-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 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 (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 PLK2 22/4885PLK1 1/4885PLK3 101/4885
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E PLK2 22/4885PLK1 1/4885PLK3 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.