SCHEMBL2397642

SCHEMBL2397642

CN1C(=O)C(C)(C)CN(C2CCCC2)c2nc(Nc3ccc(N4CCOCC4)cc3)ncc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 6/20 0.54
CDK4 P11802 9/20 0.53
CCND1 P24385 8/20 0.53
CDK1 P06493 5/20 0.53
CCNB1 P14635 5/20 0.53
CCNE1 P24864 5/20 0.53
CDK2 P24941 5/20 0.53
CCND2 P30279 4/20 0.53
CCND3 P30281 4/20 0.53
CCNB2 O95067 3/20 0.53
CCNB3 Q8WWL7 3/20 0.53
CCNE2 O96020 3/20 0.53
CCNA2 P20248 3/20 0.53
CCNA1 P78396 3/20 0.53
TTK P33981 4/20 0.51
AURKA O14965 1/20 0.50
CDK6 Q00534 1/20 0.50
DCLK1 O15075 1/20 0.47
LRRK2 Q5S007 1/20 0.47
RPS6KA6 Q9UK32 2/20 0.47

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
SCHEMBL2398556 0.92 PLK1 (0.59) PLK1CDK4CCND1CDK1CCNB1
SCHEMBL9945379 0.88 PLK1 (0.52) PLK1CDK4CDK2CCNA2CCNA1
SCHEMBL13551797 0.87 TTK (0.65) PLK1TTKDCLK1LRRK2
SCHEMBL2396059 0.86 PLK1 (0.59) PLK1CCNE1CDK2TTK
SCHEMBL2396937 0.85 MARK3 (0.59) PLK1CDK4CCND1CDK2CCND2
SCHEMBL1203057 0.85 PLK1 (0.66) PLK1CDK4CCND1CDK1CCNB1
SCHEMBL2399777 0.84 PLK1 (0.52) PLK1CCNE1CDK2TTK
SCHEMBL1202832 0.83 PLK1 (0.63) PLK1CCNE1CDK2
SCHEMBL2395781 0.83 PLK1 (0.59) PLK1CCNE1CDK2TTK
SCHEMBL2396988 0.83 PLK1 (0.51) PLK1CCNE1CDK2TTK

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
EP-2480550-B1 METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2016-02-10 EP 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-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
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 PLK1 42/4885CDK4 303/4885CCND1 1414/4885
US-20080167289-A1 Dihydrodiazepines useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP4K2 PLK1 89/4885CDK4 174/4885CCND1 839/4885
US-20140038935-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, MAP4K2 PLK1 89/4885CDK4 174/4885CCND1 839/4885
US-20120149898-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, MAP4K2 PLK1 89/4885CDK4 174/4885CCND1 839/4885
US-20100190765-A1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, MAP4K2 PLK1 89/4885CDK4 174/4885CCND1 839/4885

“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.