Sugi Predict

Sugi Predict / Compounds / SCHEMBL2395781

SCHEMBL2395781

SCHEMBL2395781

CC(=O)Nc1ccc(Nc2ncc3c(n2)N(C2CCCC2)CC(C)(C)C(=O)N3C)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 11/20 0.59
▸ MAPK7 Q13164 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ BRD4 O60885 2/20 0.47
▸ BRDT Q58F21 1/20 0.47
▸ STK4 Q13043 4/20 0.46
▸ MARK3 P27448 2/20 0.46
▸ TAF1 P21675 1/20 0.46
▸ PIK3CA P42336 1/20 0.45
▸ MTOR P42345 1/20 0.45
▸ PRKDC P78527 1/20 0.45
▸ MARK4 Q96L34 1/20 0.45
▸ TTK P33981 1/20 0.45
▸ PLK3 Q9H4B4 1/20 0.44
▸ PLK2 Q9NYY3 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ CDK2 P24941 1/20 0.44

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
SCHEMBL2395765 0.91 PLK1 (0.52) PLK1MAPK7DYRK1ABRD4BRDT
SCHEMBL2394298 0.90 PLK1 (0.58) PLK1MAPK7DYRK1ABRD4BRDT
SCHEMBL1202832 0.89 PLK1 (0.63) PLK1MAPK7DYRK1ABRD4BRDT
SCHEMBL2400663 0.89 PLK1 (0.56) PLK1MAPK7DYRK1ABRD4BRDT
SCHEMBL2397715 0.89 PLK1 (0.52) PLK1MAPK7DYRK1ABRD4BRDT
SCHEMBL2396059 0.88 PLK1 (0.59) PLK1MAPK7DYRK1ABRD4BRDT
SCHEMBL2398580 0.88 PLK1 (0.56) PLK1MAPK7DYRK1ABRD4BRDT
SCHEMBL2396937 0.88 MARK3 (0.59) PLK1BRD4BRDTSTK4MARK3
SCHEMBL2395325 0.88 PLK1 (0.66) PLK1MAPK7DYRK1ABRD4BRDT
SCHEMBL2400862 0.87 PLK1 (0.56) PLK1BRD4BRDTTTK

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 28 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
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
EP-1983987-A2 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2008-10-29 — — EP 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
WO-2007095188-A2 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-23 — — WO disclosed
WO-2007095188-A2 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-23 — — WO 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 PLK1 42/4885MAPK7 40/4885DYRK1A 698/4885
US-20080167289-A1 Dihydrodiazepines useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP4K2 PLK1 89/4885MAPK7 288/4885DYRK1A 277/4885
US-20140038935-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, MAP4K2 PLK1 89/4885MAPK7 288/4885DYRK1A 277/4885
US-20120149898-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, MAP4K2 PLK1 89/4885MAPK7 288/4885DYRK1A 277/4885
US-20100190765-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, MAP4K2 PLK1 89/4885MAPK7 288/4885DYRK1A 277/4885

“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.