Sugi Predict

Sugi Predict / Compounds / SCHEMBL2396731

SCHEMBL2396731

SCHEMBL2396731

CN1CCC(C(=O)Nc2cccc(Nc3ncc4c(n3)N(C3CCCC3)CC(C)(C)C(=O)N4C)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 16/20 0.56
▸ CCNT1 O60563 1/20 0.52
▸ CCNE1 P24864 1/20 0.52
▸ CDK2 P24941 1/20 0.52
▸ CDK9 P50750 1/20 0.52
▸ BRD4 O60885 5/20 0.49
▸ BRDT Q58F21 2/20 0.49
▸ TAF1 P21675 1/20 0.44
▸ RAD52 P43351 1/20 0.43

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
SCHEMBL2399376 0.94 PLK1 (0.51) PLK1CCNT1CCNE1CDK2CDK9
SCHEMBL2395765 0.89 PLK1 (0.52) PLK1BRD4BRDT
SCHEMBL9945383 0.87 PLK1 (0.53) PLK1BRD4BRDT
SCHEMBL2399054 0.87 PLK1 (0.51) PLK1BRD4BRDT
SCHEMBL2395421 0.86 PLK1 (0.55) PLK1BRD4BRDTTAF1
SCHEMBL2398318 0.85 PLK1 (0.55) PLK1CCNT1CCNE1CDK2CDK9
SCHEMBL2397820 0.85 PLK1 (0.51) PLK1CCNT1CCNE1CDK2CDK9
SCHEMBL9945382 0.84 PLK1 (0.50) PLK1BRD4BRDT
SCHEMBL2400703 0.84 PLK1 (0.51) PLK1BRD4BRDT
SCHEMBL2396972 0.83 PLK1 (0.54) PLK1BRD4BRDT

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 24 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
WO-2011036566-A1 METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 — — WO 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 PLK1 42/4885CCNT1 740/4885CCNE1 843/4885
US-20080167289-A1 Dihydrodiazepines useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP4K2 PLK1 89/4885CCNT1 1211/4885CCNE1 1007/4885
US-20140038935-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, MAP4K2 PLK1 89/4885CCNT1 1211/4885CCNE1 1007/4885
US-20120149898-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, MAP4K2 PLK1 89/4885CCNT1 1211/4885CCNE1 1007/4885
US-20100190765-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, MAP4K2 PLK1 89/4885CCNT1 1211/4885CCNE1 1007/4885

“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.