SCHEMBL761490

SCHEMBL761490

CC[C@@H]1C(=O)N(C)c2cnc(N)nc2N1C1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.61
PLK2 Q9NYY3 17/20 0.61
PLK3 Q9H4B4 15/20 0.61
BRD4 O60885 3/20 0.52
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
SCHEMBL17884568 0.87 PLK1 (0.62) PLK1PLK2PLK3BRD4TAF1
SCHEMBL2032200 0.86 PLK1 (0.69) PLK1PLK2PLK3BRD4TAF1
SCHEMBL2032197 0.86 PLK1 (0.69) PLK1PLK2PLK3BRD4TAF1
SCHEMBL376094 0.86 PLK1 (0.61) PLK1PLK2PLK3BRD4TAF1
SCHEMBL10320062 0.86 PLK1 (0.61) PLK1PLK2PLK3BRD4TAF1
SCHEMBL1527197 0.86 PLK1 (0.61) PLK1PLK2PLK3BRD4TAF1
SCHEMBL6840444 0.86 PLK1 (0.61) PLK1PLK2PLK3BRD4TAF1
SCHEMBL15267472 0.84 PLK1 (0.59) PLK1PLK2PLK3BRD4TAF1
SCHEMBL6840311 0.83 PLK1 (0.58) PLK1PLK2PLK3BRD4TAF1
SCHEMBL2339739 0.83 PLK1 (0.66) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8138341-B2 Intermediate compounds useful for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-20 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

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-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.