SCHEMBL2396433

SCHEMBL2396433

COc1cc(C(=O)N2CCC(F)C2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(C)(C)C(=O)N2C

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 13/20 0.63
BRD4 O60885 4/20 0.63
BRDT Q58F21 4/20 0.63
MAPK7 Q13164 2/20 0.54
RAD52 P43351 1/20 0.54
LRRK2 Q5S007 3/20 0.54
TTK P33981 1/20 0.52
PTK2 Q05397 1/20 0.52

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
SCHEMBL2396426 1.00 PLK1 (0.63) PLK1BRD4BRDTMAPK7RAD52
SCHEMBL2396194 0.90 PLK1 (0.61) PLK1BRD4BRDTMAPK7RAD52
SCHEMBL2397087 0.89 PLK1 (0.62) PLK1BRD4BRDTRAD52LRRK2
SCHEMBL2443742 0.89 PLK1 (0.63) PLK1BRD4BRDTMAPK7RAD52
SCHEMBL2394484 0.88 PLK1 (0.61) PLK1BRD4BRDTRAD52PTK2
SCHEMBL2394489 0.88 PLK1 (0.61) PLK1BRD4BRDTRAD52PTK2
SCHEMBL17506110 0.87 PLK1 (0.66) PLK1BRD4BRDTRAD52TTK
SCHEMBL11890119 0.87 PLK1 (0.66) PLK1BRD4BRDTRAD52TTK
SCHEMBL1202705 0.87 PLK1 (0.68) PLK1BRD4BRDTRAD52TTK
SCHEMBL4297998 0.87 PLK1 (0.65) PLK1BRD4BRDTRAD52TTK

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
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-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 (4 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-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.