SCHEMBL13342015

SCHEMBL13342015

Cc1ccccc1Nc1ncc2c(n1)N(C1CCCC1)CCC(=O)N2C

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 9/20 0.61
TTK P33981 8/20 0.61
PLK4 O00444 1/20 0.58
GAK O14976 1/20 0.58
STK33 Q9BYT3 1/20 0.58
PLK3 Q9H4B4 1/20 0.58
RAD52 P43351 1/20 0.57
PRKDC P78527 3/20 0.50
BRD4 O60885 2/20 0.48
BRDT Q58F21 2/20 0.48
ALK Q9UM73 1/20 0.46
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46

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
SCHEMBL14320152 0.89 PLK1 (0.62) PLK1TTKPLK4GAKSTK33
SCHEMBL2396448 0.88 PLK1 (0.72) PLK1TTKPLK4GAKSTK33
SCHEMBL1203605 0.87 PLK1 (0.63) PLK1TTKPLK4GAKSTK33
SCHEMBL4295343 0.87 PLK1 (0.57) PLK1TTKPLK4GAKSTK33
SCHEMBL4076417 0.86 PLK1 (0.70) PLK1TTKPLK4GAKSTK33
SCHEMBL1204391 0.85 PLK1 (0.67) PLK1TTKPLK4GAKSTK33
SCHEMBL4118378 0.84 PLK1 (0.68) PLK1TTKPLK4GAKSTK33
SCHEMBL1203465 0.83 PLK1 (0.58) PLK1TTKPLK4GAKSTK33
SCHEMBL12880185 0.83 PLK1 (0.57) PLK1TTKPLK4GAKSTK33
SCHEMBL4306177 0.83 PLK1 (0.61) PLK1TTKPLK4GAKSTK33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-26 US disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 PLK1 847/4885TTK 4453/4885PLK4 2169/4885
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK PLK1 1/4885TTK 171/4885PLK4 28/4885

“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.