SCHEMBL1559957

SCHEMBL1559957

CN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(Nc3ccc(C(=O)O)cc3C(F)(F)F)ncc21

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.65
BRD4 O60885 4/20 0.65
BRDT Q58F21 4/20 0.65
ALK Q9UM73 1/20 0.48
RAD52 P43351 1/20 0.47
PLK3 Q9H4B4 1/20 0.44
PLK2 Q9NYY3 1/20 0.44

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
SCHEMBL1560512 0.93 PLK1 (0.62) PLK1BRD4BRDTALKRAD52
SCHEMBL1560324 0.92 PLK1 (0.65) PLK1BRD4BRDTALKRAD52
SCHEMBL30135884 0.92 PLK1 (0.65) PLK1BRD4BRDTALKRAD52
SCHEMBL1560757 0.90 PLK1 (0.81) PLK1BRD4BRDTALKRAD52
SCHEMBL1560429 0.90 PLK1 (0.67) PLK1BRD4BRDTALKRAD52
SCHEMBL1560520 0.90 PLK1 (0.67) PLK1BRD4BRDTALKRAD52
SCHEMBL25819155 0.90 PLK1 (0.67) PLK1BRD4BRDTALKRAD52
SCHEMBL1560759 0.89 PLK1 (0.69) PLK1BRD4BRDTALKRAD52
SCHEMBL1559971 0.89 PLK1 (0.69) PLK1BRD4BRDTALKRAD52
SCHEMBL1675949 0.89 PLK1 (0.66) PLK1BRD4BRDTALKRAD52

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2564850-B1 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-08-13 EP disclosed
EP-2564850-A1 Polo-like kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
US-8318727-B2 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8026234-B2 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-27 US disclosed
US-8003785-B2 Halo-substituted pyrimidodiazepines TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2011-08-23 US disclosed
US-8003785-B2 Halo-substituted pyrimidodiazepines TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2011-08-23 US disclosed
US-8003785-B2 Halo-substituted pyrimidodiazepines TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2011-08-23 US disclosed
US-20110201818-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-18 US disclosed
US-20110082111-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-07 US disclosed
EP-2303889-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES AS PLKL INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-04-06 EP disclosed
EP-2205241-A1 POLO-LIKE KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-07-14 EP disclosed
US-20090318408-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
US-20090318408-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
US-20090318408-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
WO-2009153197-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES AS PLKL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
US-20090281092-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
WO-2009042711-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 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 (4 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-20090281092-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK PLK1 1/4885BRD4 1323/4885BRDT 579/4885
US-20110201818-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK PLK1 1/4885BRD4 1323/4885BRDT 579/4885
US-20110082111-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK PLK1 1/4885BRD4 1323/4885BRDT 579/4885
US-20090318408-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES PLK1, CCNI, CDK1 PLK1 1/4885BRD4 58/4885BRDT 6/4885

“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.