SCHEMBL3989196

SCHEMBL3989196

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCCC1)CC(C)C(=O)N2C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.79
BRD4 O60885 13/20 0.79
BRDT Q58F21 10/20 0.79
RAD52 P43351 1/20 0.79
PLK3 Q9H4B4 3/20 0.73
DAPK3 O43293 2/20 0.73
PRKD3 O94806 2/20 0.73
CHEK2 O96017 2/20 0.73
EGFR P00533 2/20 0.73
FES P07332 2/20 0.73
PHKG2 P15735 2/20 0.73
CSNK1D P48730 2/20 0.73
CLK2 P49760 2/20 0.73
NEK2 P51955 2/20 0.73
PTK2 Q05397 2/20 0.73
CAMK2B Q13554 2/20 0.73
CAMK2G Q13555 2/20 0.73
CAMK2D Q13557 2/20 0.73
PTK2B Q14289 2/20 0.73
MINK1 Q8N4C8 2/20 0.73

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
SCHEMBL2399302 0.99 PLK1 (0.80) PLK1BRD4BRDTRAD52PLK3
SCHEMBL619232 0.99 PLK1 (0.80) PLK1BRD4BRDTRAD52PLK3
SCHEMBL9945373 0.99 PLK1 (0.80) PLK1BRD4BRDTRAD52PLK3
SCHEMBL2395267 0.99 PLK1 (0.80) PLK1BRD4BRDTRAD52PLK3
SCHEMBL4084613 0.98 PLK1 (0.78) PLK1BRD4BRDTRAD52PLK3
SCHEMBL3988523 0.96 PLK1 (0.74) PLK1BRD4BRDTRAD52PLK3
SCHEMBL4301260 0.96 PLK1 (0.74) PLK1BRD4BRDTRAD52PLK3
SCHEMBL4298236 0.96 PLK1 (0.75) PLK1BRD4BRDTRAD52PLK3
SCHEMBL13611490 0.96 PLK1 (0.75) PLK1BRD4BRDTRAD52PLK3
SCHEMBL13625224 0.96 PLK1 (0.78) PLK1BRD4BRDTRAD52PLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-26 US claimed
WO-2009067547-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 WO claimed
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-26 US disclosed
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-26 US disclosed
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-26 US disclosed
WO-2009067547-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 WO disclosed
US-7517873-B2 Substituted pyrimidodiazepines HOFFMAN-LA ROCHE INC. (US) 2009-04-14 US disclosed
US-7517873-B2 Substituted pyrimidodiazepines HOFFMAN-LA ROCHE INC. (US) 2009-04-14 US disclosed
US-7517873-B2 Substituted pyrimidodiazepines HOFFMAN-LA ROCHE INC. (US) 2009-04-14 US disclosed
WO-2008113711-A1 SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-25 WO disclosed
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 US disclosed
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 US disclosed
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 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 (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-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES PLK1, CCNI, CDK1 PLK1 1/4885BRD4 123/4885BRDT 42/4885
US-20090291938-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.