SCHEMBL1675616

SCHEMBL1675616

CN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(Nc3ccc(C(=O)O)nc3)ncc21

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 15/20 0.67
BRD4 O60885 2/20 0.55
BRDT Q58F21 1/20 0.55
MAPK7 Q13164 1/20 0.44
DYRK1A Q13627 1/20 0.44
TTK P33981 1/20 0.43
TAF1 P21675 1/20 0.42
STK4 Q13043 3/20 0.42
MARK3 P27448 1/20 0.42

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
SCHEMBL1559081 0.90 PLK1 (0.77) PLK1BRD4BRDTMAPK7DYRK1A
SCHEMBL1560424 0.89 PLK1 (0.75) PLK1BRD4BRDTMAPK7DYRK1A
SCHEMBL1559047 0.88 PLK1 (0.74) PLK1BRD4BRDTMAPK7DYRK1A
SCHEMBL1675765 0.87 PLK1 (0.78) PLK1BRD4BRDTMAPK7DYRK1A
SCHEMBL1675986 0.87 PLK1 (0.83) PLK1BRD4BRDTTAF1
SCHEMBL1675748 0.86 PLK1 (0.69) PLK1BRD4BRDTMAPK7DYRK1A
SCHEMBL1560408 0.84 PLK1 (0.74) PLK1BRD4BRDTMAPK7DYRK1A
SCHEMBL30965613 0.84 PLK1 (0.67) PLK1BRD4BRDTTTK
SCHEMBL1560818 0.84 PLK1 (0.78) PLK1BRD4BRDTMAPK7DYRK1A
SCHEMBL1675879 0.84 PLK1 (0.79) PLK1BRD4BRDTTTK

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 9 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-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-2205241-A1 POLO-LIKE KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-07-14 EP 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 (3 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

“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.