SCHEMBL616568

SCHEMBL616568

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(c1ccccc1)CCC(=O)N2C

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 15/20 0.69
MAPK7 Q13164 14/20 0.69
DCLK1 O15075 10/20 0.69
BRD4 O60885 3/20 0.69
TNK2 Q07912 2/20 0.69
GAK O14976 1/20 0.69
TNK1 Q13470 1/20 0.69
DCLK2 Q8N568 1/20 0.69
PLK1 P53350 2/20 0.62
TTK P33981 1/20 0.62
PTK2 Q05397 1/20 0.60

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
SCHEMBL17465879 0.91 TTK (0.75) LRRK2MAPK7DCLK1BRD4TNK2
SCHEMBL10098681 0.89 MAPK7 (0.67) LRRK2MAPK7DCLK1BRD4TNK2
SCHEMBL3673701 0.86 RAD52 (0.62) LRRK2MAPK7DCLK1BRD4PLK1
SCHEMBL3991428 0.85 RAD52 (0.62) LRRK2MAPK7DCLK1BRD4PLK1
SCHEMBL19107336 0.85 MAPK7 (0.66) LRRK2MAPK7DCLK1BRD4TNK2
SCHEMBL616764 0.84 TNK2 (0.67) LRRK2MAPK7DCLK1BRD4TNK2
SCHEMBL617733 0.84 TTK (0.76) LRRK2MAPK7DCLK1BRD4TNK2
SCHEMBL618543 0.84 TTK (0.76) LRRK2MAPK7DCLK1BRD4TNK2
SCHEMBL21479312 0.83 EGFR (0.69) LRRK2MAPK7DCLK1BRD4TNK2
SCHEMBL1203122 0.83 RAD52 (0.77) LRRK2MAPK7DCLK1BRD4GAK

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 29 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
EP-3255047-B1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND USES IN TREATING DISORDERS DANA FARBER CANCER INST INC (US) 2021-06-30 EP disclosed
EP-3828185-A2 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS Dana Farber Cancer Institute, Inc. (US) 2021-06-02 EP disclosed
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-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-20160122357-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2016-05-05 US disclosed
US-9266890-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-23 US disclosed
US-9266890-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-23 US disclosed
US-9266890-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-23 US disclosed
US-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE (US) 2012-02-16 US disclosed
US-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE (US) 2012-02-16 US disclosed
US-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE (US) 2012-02-16 US disclosed
WO-2010080712-A2 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INSTITUTE (US) 2010-07-15 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 (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-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, BRSK1, TAOK3 LRRK2 364/4885MAPK7 263/4885DCLK1 480/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 LRRK2 1497/4885MAPK7 295/4885DCLK1 1124/4885
US-20160122357-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 LRRK2 340/4885MAPK7 253/4885DCLK1 453/4885
US-10570154-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders BRSK2, STK3, BRSK1 LRRK2 340/4885MAPK7 253/4885DCLK1 453/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 LRRK2 1497/4885MAPK7 295/4885DCLK1 1124/4885
US-20180362545-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 LRRK2 340/4885MAPK7 253/4885DCLK1 453/4885
US-20170260208-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 LRRK2 340/4885MAPK7 253/4885DCLK1 453/4885

“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.