SCHEMBL2397069

SCHEMBL2397069

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.58
PLK1 P53350 17/20 0.55
BRD4 O60885 11/20 0.55
BRDT Q58F21 5/20 0.55
DCLK1 O15075 2/20 0.51
LRRK2 Q5S007 2/20 0.51
PLK3 Q9H4B4 3/20 0.50
PLK2 Q9NYY3 2/20 0.50
MAPK7 Q13164 1/20 0.50
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PRKCG P05129 1/20 0.49
CLK2 P49760 1/20 0.49
RPS6KA3 P51812 1/20 0.49
NEK4 P51957 1/20 0.49
CAMK2G Q13555 1/20 0.49
CAMK2D Q13557 1/20 0.49
SRPK1 Q96SB4 1/20 0.49
PRKD2 Q9BZL6 1/20 0.49
CSNK1G1 Q9HCP0 1/20 0.49

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
SCHEMBL1560796 0.91 PLK1 (0.62) PTK2PLK1BRD4BRDTDCLK1
SCHEMBL12880142 0.91 PTK2 (0.58) PTK2PLK1BRD4BRDTDCLK1
SCHEMBL4111700 0.89 PLK1 (0.72) PLK1BRD4BRDTDCLK1LRRK2
SCHEMBL2396771 0.88 PLK1 (0.61) PTK2PLK1BRD4BRDTPLK3
SCHEMBL3539045 0.88 MAPK7 (0.65) PTK2PLK1BRD4BRDTPLK3
SCHEMBL2398371 0.88 PLK1 (0.64) PTK2PLK1BRD4BRDTPLK3
SCHEMBL3547694 0.87 PLK1 (0.66) PLK1BRD4BRDTDCLK1LRRK2
SCHEMBL3546529 0.87 PLK1 (0.53) PTK2PLK1BRD4BRDTPLK3
SCHEMBL3539864 0.87 MAPK7 (0.60) PTK2PLK1BRD4BRDTPLK3
SCHEMBL2400540 0.86 PLK1 (0.67) PTK2PLK1BRD4BRDTPLK3

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 26 patents — showing the first 20. 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-20140038935-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-06 US disclosed
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-8394952-B2 Dihydrodiazepines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-12 US disclosed
US-8394952-B2 Dihydrodiazepines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-12 US disclosed
US-20120271045-A1 METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 US disclosed
US-20120271045-A1 METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 US disclosed
US-20120149898-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 US disclosed
US-20120149898-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 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-20100190765-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-29 US 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-7622463-B2 Dihydrodiazepines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-24 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
US-20080167289-A1 Dihydrodiazepines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-07-10 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-20120271045-A1 METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS DCK, MAP3K5, MAP3K1 PTK2 585/4885PLK1 42/4885BRD4 1592/4885
US-20080167289-A1 Dihydrodiazepines useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP4K2 PTK2 321/4885PLK1 89/4885BRD4 536/4885
US-20140038935-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, MAP4K2 PTK2 321/4885PLK1 89/4885BRD4 536/4885
US-20120149898-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, MAP4K2 PTK2 321/4885PLK1 89/4885BRD4 536/4885
US-20100190765-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, MAP4K2 PTK2 321/4885PLK1 89/4885BRD4 536/4885

“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.