SCHEMBL2030977

SCHEMBL2030977

CC[C@@H]1C(=O)N(C)c2cnc(-c3ccncc3NS(C)(=O)=O)nc2N1C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.55
PLK2 Q9NYY3 17/20 0.55
PLK3 Q9H4B4 16/20 0.55
BRD4 O60885 2/20 0.51
TAF1 P21675 1/20 0.51
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PRKCG P05129 1/20 0.49
CLK2 P49760 1/20 0.49
RPS6KA3 P51812 1/20 0.49
NEK4 P51957 1/20 0.49
PTK2 Q05397 1/20 0.49
CAMK2G Q13555 1/20 0.49
CAMK2D Q13557 1/20 0.49
SRPK1 Q96SB4 1/20 0.49
PRKD2 Q9BZL6 1/20 0.49
CSNK1G1 Q9HCP0 1/20 0.49
CSNK1G3 Q9Y6M4 1/20 0.49

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
SCHEMBL2030979 1.00 PLK1 (0.55) PLK1PLK2PLK3BRD4TAF1
SCHEMBL2026196 0.90 PLK1 (0.65) PLK1PLK2PLK3BRD4TAF1
SCHEMBL2026198 0.90 PLK1 (0.65) PLK1PLK2PLK3BRD4TAF1
SCHEMBL2032483 0.87 PLK1 (0.54) PLK1PLK2PLK3BRD4TAF1
SCHEMBL2032478 0.87 PLK1 (0.54) PLK1PLK2PLK3BRD4TAF1
SCHEMBL2031221 0.86 BRD4 (0.53) PLK1PLK2PLK3BRD4TAF1
SCHEMBL6844503 0.86 PLK1 (0.54) PLK1PLK2PLK3BRD4TAF1
SCHEMBL2031223 0.86 BRD4 (0.53) PLK1PLK2PLK3BRD4TAF1
SCHEMBL2026862 0.85 PLK1 (0.54) PLK1PLK2PLK3BRD4TAF1
SCHEMBL2026861 0.85 PLK1 (0.54) 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 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 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.