SCHEMBL1675748

SCHEMBL1675748

CN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(Nc3ccc(C(=O)O)c(F)c3)ncc21

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.69
BRD4 O60885 3/20 0.55
BRDT Q58F21 1/20 0.55
MAPK7 Q13164 1/20 0.43
DYRK1A Q13627 1/20 0.43
CCNT1 O60563 2/20 0.42
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
CCND3 P30281 2/20 0.42
CDK9 P50750 2/20 0.42
CDK6 Q00534 2/20 0.42
TTK P33981 1/20 0.42
RPS6KA6 Q9UK32 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
SCHEMBL1675765 0.92 PLK1 (0.78) PLK1BRD4BRDTMAPK7DYRK1A
SCHEMBL1675879 0.90 PLK1 (0.79) PLK1BRD4BRDTTTK
SCHEMBL1675880 0.88 PLK1 (0.86) PLK1BRD4BRDT
SCHEMBL1559906 0.88 PLK1 (0.67) PLK1BRD4BRDT
SCHEMBL1559081 0.87 PLK1 (0.77) PLK1BRD4BRDTMAPK7DYRK1A
SCHEMBL1560424 0.86 PLK1 (0.75) PLK1BRD4BRDTMAPK7DYRK1A
SCHEMBL1560954 0.86 PLK1 (0.66) PLK1BRD4BRDTTTK
SCHEMBL1675616 0.86 PLK1 (0.67) PLK1BRD4BRDTMAPK7DYRK1A
SCHEMBL1559047 0.85 PLK1 (0.74) PLK1BRD4BRDTMAPK7DYRK1A
SCHEMBL1559900 0.85 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.