SCHEMBL2394142

SCHEMBL2394142

CNC(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)C(C)CC(=O)N3C)c(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.68
BRD4 O60885 15/20 0.68
BRDT Q58F21 13/20 0.68
PLK3 Q9H4B4 5/20 0.64
PLK2 Q9NYY3 3/20 0.64
PRKD3 O94806 3/20 0.63
CLK2 P49760 3/20 0.63
PTK2 Q05397 3/20 0.63
CAMK2G Q13555 3/20 0.63
CAMK2D Q13557 3/20 0.63
PRKD2 Q9BZL6 3/20 0.63
CSNK1G1 Q9HCP0 3/20 0.63
CSNK1G3 Q9Y6M4 3/20 0.63
MAP4K4 O95819 2/20 0.63
PRKCG P05129 2/20 0.63
RPS6KA3 P51812 2/20 0.63
NEK4 P51957 2/20 0.63
SRPK1 Q96SB4 1/20 0.63
DAPK3 O43293 2/20 0.60
CHEK2 O96017 2/20 0.60

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
SCHEMBL2394118 1.00 PLK1 (0.68) PLK1BRD4BRDTPLK3PLK2
SCHEMBL21755701 0.92 PLK1 (0.66) PLK1BRD4BRDTPLK3PLK2
SCHEMBL13611483 0.92 PLK1 (0.68) PLK1BRD4BRDTPLK3PLK2
SCHEMBL1203297 0.92 PLK1 (0.68) PLK1BRD4BRDTPLK3PLK2
SCHEMBL13551745 0.91 PLK1 (0.65) PLK1BRD4BRDTPLK3PLK2
SCHEMBL2400870 0.90 BRD4 (0.81) PLK1BRD4BRDTPLK3PLK2
SCHEMBL13870847 0.90 BRD4 (0.81) PLK1BRD4BRDTPLK3PLK2
SCHEMBL618594 0.90 BRD4 (0.81) PLK1BRD4BRDTPLK3PLK2
SCHEMBL25787913 0.89 PLK1 (0.85) PLK1BRD4BRDTPLK3PLK2
SCHEMBL13622601 0.85 PLK1 (0.65) PLK1BRD4BRDTPLK3PLK2

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 12 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
US-20140038935-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-06 US disclosed
US-8394952-B2 Dihydrodiazepines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-12 US disclosed
US-20120149898-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 US disclosed
US-8022202-B2 Dihydrodiazepines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-20 US disclosed
EP-1983987-B1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2010-09-01 EP disclosed
US-20100190765-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-29 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
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-26 US disclosed
US-7622463-B2 Dihydrodiazepines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-24 US disclosed
US-20080167289-A1 Dihydrodiazepines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-07-10 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 (5 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-20080167289-A1 Dihydrodiazepines useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP4K2 PLK1 89/4885BRD4 536/4885BRDT 833/4885
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK PLK1 1/4885BRD4 1323/4885BRDT 579/4885
US-20140038935-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, MAP4K2 PLK1 89/4885BRD4 536/4885BRDT 833/4885
US-20120149898-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, MAP4K2 PLK1 89/4885BRD4 536/4885BRDT 833/4885
US-20100190765-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, MAP4K2 PLK1 89/4885BRD4 536/4885BRDT 833/4885

“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.