SCHEMBL618594

SCHEMBL618594

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)C(C)CC(=O)N2C

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.81
PLK1 P53350 15/20 0.81
BRDT Q58F21 10/20 0.81
ALK Q9UM73 5/20 0.76
TAF1 P21675 3/20 0.76
DAPK3 O43293 2/20 0.76
PRKD3 O94806 2/20 0.76
CHEK2 O96017 2/20 0.76
EGFR P00533 2/20 0.76
FES P07332 2/20 0.76
PHKG2 P15735 2/20 0.76
CSNK1D P48730 2/20 0.76
CLK2 P49760 2/20 0.76
NEK2 P51955 2/20 0.76
PTK2 Q05397 2/20 0.76
CAMK2B Q13554 2/20 0.76
CAMK2G Q13555 2/20 0.76
CAMK2D Q13557 2/20 0.76
PTK2B Q14289 2/20 0.76
MINK1 Q8N4C8 2/20 0.76

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
SCHEMBL13870847 1.00 BRD4 (0.81) BRD4PLK1BRDTALKTAF1
SCHEMBL2400870 1.00 BRD4 (0.81) BRD4PLK1BRDTALKTAF1
SCHEMBL13551749 0.92 PLK1 (0.78) BRD4PLK1BRDTALKTAF1
SCHEMBL4302288 0.91 PLK1 (0.81) BRD4PLK1BRDTALKTAF1
SCHEMBL13611484 0.91 PLK1 (0.81) BRD4PLK1BRDTALKTAF1
SCHEMBL1203442 0.91 BRD4 (0.76) BRD4PLK1BRDTALKTAF1
SCHEMBL2394118 0.90 PLK1 (0.68) BRD4PLK1BRDTALKTAF1
SCHEMBL2394142 0.90 PLK1 (0.68) BRD4PLK1BRDTALKTAF1
SCHEMBL13611483 0.89 PLK1 (0.68) BRD4PLK1BRDTALKTAF1
SCHEMBL1203297 0.89 PLK1 (0.68) BRD4PLK1BRDTALKTAF1

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10570154-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-02-25 US claimed
US-20180362545-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-12-20 US claimed
US-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE (US) 2012-02-16 US claimed
EP-2379559-A2 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS Dana Farber Cancer Institute (US) 2011-10-26 EP claimed
WO-2010080712-A2 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INSTITUTE (US) 2010-07-15 WO claimed
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2020-07-02 US disclosed
US-10570154-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-02-25 US disclosed
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo BROWN DENNIS M (US) 2019-08-20 US disclosed
US-20170260208-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-09-14 US disclosed
US-9701683-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-07-11 US disclosed
US-20160347755-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2016-12-01 US disclosed
US-9493471-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2016-11-15 US disclosed
US-7517873-B2 Substituted pyrimidodiazepines HOFFMAN-LA ROCHE INC. (US) 2009-04-14 US disclosed
US-7517873-B2 Substituted pyrimidodiazepines HOFFMAN-LA ROCHE INC. (US) 2009-04-14 US disclosed
US-7517873-B2 Substituted pyrimidodiazepines HOFFMAN-LA ROCHE INC. (US) 2009-04-14 US disclosed
WO-2009040556-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2009-04-02 WO disclosed
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 US disclosed
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 US disclosed
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 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 (9 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-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, BRSK1, TAOK3 BRD4 555/4885PLK1 109/4885BRDT 783/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 BRD4 396/4885PLK1 31/4885BRDT 281/4885
US-10570154-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders BRSK2, STK3, BRSK1 BRD4 614/4885PLK1 110/4885BRDT 789/4885
US-20080167289-A1 Dihydrodiazepines useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP4K2 BRD4 536/4885PLK1 89/4885BRDT 833/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 BRD4 396/4885PLK1 31/4885BRDT 281/4885
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES PLK1, CCNI, CDK1 BRD4 123/4885PLK1 1/4885BRDT 42/4885
US-20160347755-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 BRD4 644/4885PLK1 117/4885BRDT 766/4885
US-20180362545-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 BRD4 614/4885PLK1 110/4885BRDT 789/4885
US-20170260208-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 BRD4 614/4885PLK1 110/4885BRDT 789/4885

“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.