SCHEMBL16065839

SCHEMBL16065839

CN1c2ccccc2C(=O)Nc2cnc(Nc3ccc(N4CCC(O)CC4)cn3)nc21

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 14/20 0.82
MAPK7 Q13164 5/20 0.70
LRRK2 Q5S007 6/20 0.62
DCLK1 O15075 5/20 0.62
TTK P33981 1/20 0.57
PLK1 P53350 1/20 0.57
PLK4 O00444 1/20 0.54
BRD4 O60885 1/20 0.54
PI4KA P42356 1/20 0.54
RPS6KA3 P51812 1/20 0.54
PTK2 Q05397 1/20 0.54
TNK1 Q13470 1/20 0.54
RPS6KA2 Q15349 1/20 0.54
RPS6KA1 Q15418 1/20 0.54
BRDT Q58F21 1/20 0.54
DCLK2 Q8N568 1/20 0.54
PI4KB Q9UBF8 1/20 0.54

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
SCHEMBL16065780 0.90 TNK2 (1.00) TNK2MAPK7LRRK2DCLK1
SCHEMBL619501 0.88 MAPK7 (0.83) TNK2MAPK7LRRK2DCLK1TTK
SCHEMBL16065852 0.85 TNK2 (1.00) TNK2MAPK7LRRK2DCLK1PLK4
SCHEMBL617766 0.82 MAPK7 (1.00) TNK2MAPK7LRRK2DCLK1TTK
SCHEMBL16065860 0.81 TNK2 (0.76) TNK2LRRK2DCLK1BRD4
SCHEMBL17721076 0.80 MAPK7 (0.71) TNK2MAPK7LRRK2DCLK1TTK
SCHEMBL16065775 0.79 TNK2 (1.00) TNK2MAPK7LRRK2
SCHEMBL16065840 0.77 TNK2 (0.75) TNK2MAPK7LRRK2DCLK1PLK4
SCHEMBL30797848 0.77 DCLK1 (1.00) TNK2MAPK7LRRK2DCLK1PLK4
SCHEMBL10098752 0.77 DCLK1 (1.00) TNK2MAPK7LRRK2DCLK1PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-29 US disclosed
US-20200071340-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-03-05 US disclosed
US-10457692-B2 Pyrimido-diazepinone compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-10-29 US disclosed
US-20190084998-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-03-21 US disclosed
US-10189861-B2 Pyrimido-diazepinone compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-29 US disclosed
US-20170283422-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2017-10-05 US disclosed
US-20170283422-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2017-10-05 US disclosed
US-9676792-B2 Pyrimido-diazepinone compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-06-13 US disclosed
US-9676792-B2 Pyrimido-diazepinone compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-06-13 US disclosed
US-20160024115-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2016-01-28 US disclosed
US-20160024115-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2016-01-28 US disclosed
WO-2014145909-A2 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-09-18 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-20200071340-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 TNK2 53/4885MAPK7 292/4885LRRK2 324/4885
US-20190084998-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 TNK2 53/4885MAPK7 292/4885LRRK2 324/4885
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 TNK2 53/4885MAPK7 292/4885LRRK2 324/4885
US-10189861-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 TNK2 53/4885MAPK7 292/4885LRRK2 324/4885
US-20170283422-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 TNK2 53/4885MAPK7 292/4885LRRK2 324/4885
US-10457692-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 TNK2 53/4885MAPK7 292/4885LRRK2 324/4885
US-20160024115-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 TNK2 53/4885MAPK7 292/4885LRRK2 324/4885

“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.