SCHEMBL16065701

SCHEMBL16065701

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N1CCc3cccc(c31)C(=O)N2C

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 18/20 0.74
MAPK7 Q13164 17/20 0.74
DCLK1 O15075 12/20 0.74
BRD4 O60885 3/20 0.74
GAK O14976 1/20 0.74
TNK2 Q07912 1/20 0.74
TNK1 Q13470 1/20 0.74
DCLK2 Q8N568 1/20 0.74

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 0.93 LRRK2 (0.74) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL16065696 0.87 TNK2 (0.77) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL16065702 0.86 LRRK2 (0.75) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL31092834 0.85 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL29360090 0.85 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL618262 0.85 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL616568 0.82 LRRK2 (0.69) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL16065633 0.82 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL616946 0.82 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL617001 0.82 LRRK2 (1.00) 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 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 324/4885MAPK7 292/4885DCLK1 483/4885
US-20190084998-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 LRRK2 324/4885MAPK7 292/4885DCLK1 483/4885
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 LRRK2 324/4885MAPK7 292/4885DCLK1 483/4885
US-10189861-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 LRRK2 324/4885MAPK7 292/4885DCLK1 483/4885
US-20170283422-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 LRRK2 324/4885MAPK7 292/4885DCLK1 483/4885
US-10457692-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 LRRK2 324/4885MAPK7 292/4885DCLK1 483/4885
US-20160024115-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 LRRK2 324/4885MAPK7 292/4885DCLK1 483/4885

“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.