SCHEMBL10098757

SCHEMBL10098757

CN1CCN(c2ccc(Nc3ncc4c(n3)N(C)c3ccccc3N(C)C4=O)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 8/20 0.71
DCLK1 O15075 3/20 0.65
LRRK2 Q5S007 2/20 0.65
MAPK7 Q13164 2/20 0.61
GAK O14976 1/20 0.58
BRD4 O60885 1/20 0.58
TNK1 Q13470 1/20 0.58
DCLK2 Q8N568 1/20 0.58
ALK Q9UM73 1/20 0.55
CDK4 P11802 1/20 0.55
CCND1 P24385 1/20 0.55
CCND2 P30279 1/20 0.55
CCND3 P30281 1/20 0.55
MAP4K1 Q92918 1/20 0.54
JAK3 P52333 1/20 0.54
EGFR P00533 2/20 0.53
WEE1 P30291 2/20 0.53
NUAK1 O60285 1/20 0.53

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
SCHEMBL10098748 0.90 LRRK2 (0.79) TNK2DCLK1LRRK2MAPK7GAK
SCHEMBL16065698 0.84 LRRK2 (0.63) TNK2DCLK1LRRK2MAPK7GAK
SCHEMBL16065775 0.83 TNK2 (1.00) TNK2LRRK2MAPK7
SCHEMBL10098758 0.83 LRRK2 (0.84) TNK2DCLK1LRRK2MAPK7GAK
SCHEMBL17465883 0.81 DCLK1 (0.78) TNK2DCLK1LRRK2MAPK7GAK
SCHEMBL23428462 0.79 TNK2 (0.61) TNK2DCLK1LRRK2MAPK7GAK
SCHEMBL17721088 0.79 DCLK1 (0.84) TNK2DCLK1LRRK2MAPK7GAK
SCHEMBL20628296 0.79 STK3 (0.71) TNK2DCLK1LRRK2MAPK7GAK
SCHEMBL10098752 0.79 DCLK1 (1.00) TNK2DCLK1LRRK2MAPK7GAK
SCHEMBL30797848 0.79 DCLK1 (1.00) TNK2DCLK1LRRK2MAPK7GAK

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 28 patents — showing the first 20. 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
EP-3670515-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS Dana Farber Cancer Institute, Inc. (US) 2020-06-24 EP disclosed
US-20200071340-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-03-05 US disclosed
US-10570154-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-02-25 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-20170260208-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-09-14 US disclosed
US-9464091-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-11 US disclosed
US-20160122357-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2016-05-05 US disclosed
US-20160122357-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2016-05-05 US disclosed
US-9266890-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-23 US disclosed
US-9266890-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-23 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
US-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE (US) 2012-02-16 US disclosed
US-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE (US) 2012-02-16 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 (11 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 53/4885DCLK1 483/4885LRRK2 324/4885
US-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, BRSK1, TAOK3 TNK2 85/4885DCLK1 480/4885LRRK2 364/4885
US-20190084998-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 TNK2 53/4885DCLK1 483/4885LRRK2 324/4885
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 TNK2 53/4885DCLK1 483/4885LRRK2 324/4885
US-10189861-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 TNK2 53/4885DCLK1 483/4885LRRK2 324/4885
US-20170283422-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 TNK2 53/4885DCLK1 483/4885LRRK2 324/4885
US-20160122357-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 TNK2 82/4885DCLK1 453/4885LRRK2 340/4885
US-10570154-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders BRSK2, STK3, BRSK1 TNK2 82/4885DCLK1 453/4885LRRK2 340/4885
US-10457692-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 TNK2 53/4885DCLK1 483/4885LRRK2 324/4885
US-20160024115-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 TNK2 53/4885DCLK1 483/4885LRRK2 324/4885
US-20170260208-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 TNK2 82/4885DCLK1 453/4885LRRK2 340/4885

“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.