SCHEMBL16065702

SCHEMBL16065702

CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N1CCc3cccc(c31)C(=O)N2C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 14/20 0.75
DCLK1 O15075 12/20 0.75
MAPK7 Q13164 11/20 0.75
TNK2 Q07912 4/20 0.75
PLK4 O00444 2/20 0.75
BRD4 O60885 2/20 0.75
TNK1 Q13470 2/20 0.75
DCLK2 Q8N568 2/20 0.75
PTK2 Q05397 2/20 0.75
PI4KA P42356 1/20 0.75
RPS6KA3 P51812 1/20 0.75
RPS6KA2 Q15349 1/20 0.75
RPS6KA1 Q15418 1/20 0.75
BRDT Q58F21 1/20 0.75
PI4KB Q9UBF8 1/20 0.75
TTK P33981 3/20 0.63
GAK O14976 2/20 0.63
PLK1 P53350 2/20 0.63
STK33 Q9BYT3 1/20 0.63
PLK3 Q9H4B4 1/20 0.63

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
SCHEMBL16065704 0.94 LRRK2 (0.74) LRRK2DCLK1MAPK7TNK2PLK4
SCHEMBL29372331 0.86 LRRK2 (1.00) LRRK2DCLK1MAPK7TNK2PLK4
SCHEMBL29356878 0.86 LRRK2 (1.00) LRRK2DCLK1MAPK7TNK2PLK4
SCHEMBL16065701 0.86 LRRK2 (0.74) LRRK2DCLK1MAPK7TNK2BRD4
SCHEMBL619295 0.86 LRRK2 (1.00) LRRK2DCLK1MAPK7TNK2PLK4
SCHEMBL16065697 0.85 LRRK2 (0.72) LRRK2DCLK1MAPK7TNK2PLK4
SCHEMBL617733 0.83 TTK (0.76) LRRK2DCLK1MAPK7TNK2PLK4
SCHEMBL10098807 0.81 MAPK7 (0.77) LRRK2DCLK1MAPK7TNK2PLK4
Trifluoroacetic Acid SCHEMBL30842197 0.81 LRRK2 (0.89) LRRK2DCLK1MAPK7TNK2PLK4
SCHEMBL17721077 0.79 LRRK2 (0.87) LRRK2DCLK1MAPK7TNK2PLK4

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