SCHEMBL617429

SCHEMBL617429

CN1CCC(Nc2ncc3c(n2)N(C2CCCC2)C2CCCC2C(=O)N3C)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 11/20 0.61
MAPK7 Q13164 4/20 0.61
DYRK1A Q13627 1/20 0.61
BRD4 O60885 16/20 0.53
TAF1 P21675 5/20 0.53
BRDT Q58F21 7/20 0.48
ALK Q9UM73 5/20 0.46
DAPK3 O43293 2/20 0.46
PRKD3 O94806 2/20 0.46
CHEK2 O96017 2/20 0.46
EGFR P00533 2/20 0.46
FES P07332 2/20 0.46
PHKG2 P15735 2/20 0.46
CSNK1D P48730 2/20 0.46
CLK2 P49760 2/20 0.46
NEK2 P51955 2/20 0.46
PTK2 Q05397 2/20 0.46
CAMK2B Q13554 2/20 0.46
CAMK2G Q13555 2/20 0.46
CAMK2D Q13557 2/20 0.46

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
SCHEMBL10098784 1.00 PLK1 (0.61) PLK1MAPK7DYRK1ABRD4TAF1
SCHEMBL617234 0.89 PLK1 (0.62) PLK1MAPK7DYRK1ABRD4TAF1
SCHEMBL17525895 0.89 PLK1 (0.62) PLK1MAPK7DYRK1ABRD4TAF1
SCHEMBL10098806 0.81 BRD4 (0.67) PLK1MAPK7DYRK1ABRD4TAF1
SCHEMBL618659 0.81 BRD4 (0.67) PLK1MAPK7DYRK1ABRD4TAF1
SCHEMBL10098788 0.80 PLK1 (0.63) PLK1MAPK7DYRK1ABRD4TAF1
SCHEMBL618807 0.80 PLK1 (0.63) PLK1MAPK7DYRK1ABRD4TAF1
SCHEMBL21755700 0.79 MAPK7 (0.52) PLK1MAPK7BRD4TAF1BRDT
SCHEMBL3797118 0.79 PLK1 (0.58) PLK1MAPK7DYRK1ABRD4TAF1
SCHEMBL10098803 0.79 PLK1 (0.61) PLK1MAPK7DYRK1ABRD4TAF1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3828185-A2 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS Dana Farber Cancer Institute, Inc. (US) 2021-06-02 EP 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-10081639-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-09-25 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-9464091-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-11 US disclosed
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2016-08-25 US disclosed
US-20160122357-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2016-05-05 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 (7 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-10081639-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders BRSK2, STK3, BRSK1 PLK1 110/4885MAPK7 253/4885DYRK1A 350/4885
US-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, BRSK1, TAOK3 PLK1 109/4885MAPK7 263/4885DYRK1A 363/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 PLK1 31/4885MAPK7 295/4885DYRK1A 670/4885
US-20160122357-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 PLK1 110/4885MAPK7 253/4885DYRK1A 350/4885
US-20180362545-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 PLK1 110/4885MAPK7 253/4885DYRK1A 350/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 PLK1 31/4885MAPK7 295/4885DYRK1A 670/4885
US-20170260208-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 PLK1 110/4885MAPK7 253/4885DYRK1A 350/4885

“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.