SCHEMBL17465883

SCHEMBL17465883

CN1C(=O)c2ccccc2N(C)c2nc(Nc3ccc(N4CCOCC4)cc3)ncc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLK1 O15075 12/20 0.78
LRRK2 Q5S007 12/20 0.78
MAPK7 Q13164 10/20 0.73
PIK3CD O00329 2/20 0.65
AURKA O14965 2/20 0.65
PIK3C2G O75747 2/20 0.65
PIK3CG P48736 2/20 0.65
AURKB Q96GD4 2/20 0.65
TNK2 Q07912 5/20 0.62
BRD4 O60885 2/20 0.60
TNK1 Q13470 2/20 0.60
DCLK2 Q8N568 2/20 0.60
GAK O14976 1/20 0.60
NUAK1 O60285 2/20 0.58
PLK4 O00444 1/20 0.55
PI4KA P42356 1/20 0.55
RPS6KA3 P51812 1/20 0.55
PTK2 Q05397 1/20 0.55
RPS6KA2 Q15349 1/20 0.55
RPS6KA1 Q15418 1/20 0.55

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
SCHEMBL17465886 0.91 LRRK2 (0.77) DCLK1LRRK2MAPK7PIK3CDAURKA
SCHEMBL10098748 0.91 LRRK2 (0.79) DCLK1LRRK2MAPK7PIK3CDAURKA
SCHEMBL17465885 0.91 DCLK1 (0.72) DCLK1LRRK2MAPK7PIK3CDAURKA
SCHEMBL16065841 0.90 DCLK1 (0.64) DCLK1LRRK2MAPK7PIK3CDAURKA
SCHEMBL17465893 0.90 DCLK1 (0.64) DCLK1LRRK2MAPK7PIK3CDAURKA
SCHEMBL17721088 0.89 DCLK1 (0.84) DCLK1LRRK2MAPK7PIK3CDAURKA
SCHEMBL30797848 0.88 DCLK1 (1.00) DCLK1LRRK2MAPK7PIK3CDAURKA
SCHEMBL10098752 0.88 DCLK1 (1.00) DCLK1LRRK2MAPK7PIK3CDAURKA
SCHEMBL22137421 0.86 DCLK1 (0.80) DCLK1LRRK2MAPK7PIK3CDAURKA
SCHEMBL10098768 0.85 LRRK2 (1.00) DCLK1LRRK2MAPK7TNK2BRD4

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 11 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

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 DCLK1 483/4885LRRK2 324/4885MAPK7 292/4885
US-20190084998-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 DCLK1 483/4885LRRK2 324/4885MAPK7 292/4885
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 DCLK1 483/4885LRRK2 324/4885MAPK7 292/4885
US-10189861-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 DCLK1 483/4885LRRK2 324/4885MAPK7 292/4885
US-20170283422-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 DCLK1 483/4885LRRK2 324/4885MAPK7 292/4885
US-10457692-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 DCLK1 483/4885LRRK2 324/4885MAPK7 292/4885
US-20160024115-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 DCLK1 483/4885LRRK2 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.