SCHEMBL16065804

SCHEMBL16065804

COc1cc(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3C)ccc1C(=O)N1CCC(O)CC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NUAK1 O60285 2/20 0.68
LRRK2 Q5S007 15/20 0.66
MAPK7 Q13164 13/20 0.66
DCLK1 O15075 12/20 0.66
BRD4 O60885 5/20 0.61
BRDT Q58F21 2/20 0.61
TNK2 Q07912 2/20 0.57
TNK1 Q13470 2/20 0.57
DCLK2 Q8N568 2/20 0.57
PLK4 O00444 1/20 0.57
PI4KA P42356 1/20 0.57
RPS6KA3 P51812 1/20 0.57
PTK2 Q05397 1/20 0.57
RPS6KA2 Q15349 1/20 0.57
RPS6KA1 Q15418 1/20 0.57
PI4KB Q9UBF8 1/20 0.57
GAK O14976 1/20 0.56

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
SCHEMBL17465858 0.87 NUAK1 (0.67) NUAK1LRRK2MAPK7DCLK1BRD4
SCHEMBL16065850 0.85 LRRK2 (0.65) NUAK1LRRK2MAPK7DCLK1BRD4
SCHEMBL16065849 0.81 NUAK1 (1.00) NUAK1LRRK2MAPK7DCLK1BRD4
SCHEMBL618577 0.79 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4BRDT
SCHEMBL30797848 0.79 DCLK1 (1.00) NUAK1LRRK2MAPK7DCLK1BRD4
SCHEMBL10098752 0.79 DCLK1 (1.00) NUAK1LRRK2MAPK7DCLK1BRD4
SCHEMBL10098750 0.78 NUAK1 (0.79) NUAK1LRRK2MAPK7DCLK1BRD4
SCHEMBL16140987 0.78 NUAK1 (0.68) NUAK1LRRK2MAPK7DCLK1BRD4
SCHEMBL619716 0.77 NUAK1 (0.95) NUAK1LRRK2MAPK7DCLK1BRD4
SCHEMBL616339 0.77 MAPK7 (1.00) NUAK1LRRK2MAPK7DCLK1BRD4

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 NUAK1 437/4885LRRK2 324/4885MAPK7 292/4885
US-20190084998-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 NUAK1 437/4885LRRK2 324/4885MAPK7 292/4885
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 NUAK1 437/4885LRRK2 324/4885MAPK7 292/4885
US-10189861-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 NUAK1 437/4885LRRK2 324/4885MAPK7 292/4885
US-20170283422-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 NUAK1 437/4885LRRK2 324/4885MAPK7 292/4885
US-10457692-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 NUAK1 437/4885LRRK2 324/4885MAPK7 292/4885
US-20160024115-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 NUAK1 437/4885LRRK2 324/4885MAPK7 292/4885

“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.