SCHEMBL617766

SCHEMBL617766

CCN1C(=O)c2ccccc2N(C)c2nc(Nc3ccc(N4CCC(O)CC4)cn3)ncc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 12/20 1.00
LRRK2 Q5S007 13/20 0.67
DCLK1 O15075 12/20 0.67
TTK P33981 2/20 0.63
BRD4 O60885 5/20 0.62
TNK2 Q07912 4/20 0.62
TNK1 Q13470 2/20 0.62
DCLK2 Q8N568 2/20 0.62
PLK4 O00444 1/20 0.62
PI4KA P42356 1/20 0.62
RPS6KA3 P51812 1/20 0.62
PTK2 Q05397 1/20 0.62
RPS6KA2 Q15349 1/20 0.62
RPS6KA1 Q15418 1/20 0.62
BRDT Q58F21 1/20 0.62
PI4KB Q9UBF8 1/20 0.62
PLK1 P53350 1/20 0.57
GAK O14976 1/20 0.49
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49

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
SCHEMBL17721078 0.93 MAPK7 (0.86) MAPK7LRRK2DCLK1TTKBRD4
SCHEMBL619501 0.91 MAPK7 (0.83) MAPK7LRRK2DCLK1TTKBRD4
SCHEMBL618312 0.85 LRRK2 (0.84) MAPK7LRRK2DCLK1BRD4TNK2
SCHEMBL17721076 0.83 MAPK7 (0.71) MAPK7LRRK2DCLK1TTKBRD4
SCHEMBL16065839 0.82 TNK2 (0.82) MAPK7LRRK2DCLK1TTKBRD4
SCHEMBL10098752 0.80 DCLK1 (1.00) MAPK7LRRK2DCLK1BRD4TNK2
SCHEMBL30797848 0.80 DCLK1 (1.00) MAPK7LRRK2DCLK1BRD4TNK2
SCHEMBL22603983 0.79 LRRK2 (0.82) MAPK7LRRK2DCLK1BRD4TNK2
SCHEMBL17721081 0.78 LRRK2 (0.85) MAPK7LRRK2DCLK1BRD4TNK2
SCHEMBL18369824 0.77 MAPK7 (0.65) MAPK7LRRK2DCLK1TTKBRD4

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE (US) 2012-02-16 US claimed
EP-3828185-A2 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS Dana Farber Cancer Institute, Inc. (US) 2021-06-02 EP disclosed
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-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-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo BROWN DENNIS M (US) 2019-08-20 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
EP-2379559-B1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INST INC (US) 2017-10-25 EP 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-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
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
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 (10 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 MAPK7 292/4885LRRK2 324/4885DCLK1 483/4885
US-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, BRSK1, TAOK3 MAPK7 263/4885LRRK2 364/4885DCLK1 480/4885
US-20190084998-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 MAPK7 292/4885LRRK2 324/4885DCLK1 483/4885
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 MAPK7 292/4885LRRK2 324/4885DCLK1 483/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 MAPK7 295/4885LRRK2 1497/4885DCLK1 1124/4885
US-10189861-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 MAPK7 292/4885LRRK2 324/4885DCLK1 483/4885
US-20160122357-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 MAPK7 253/4885LRRK2 340/4885DCLK1 453/4885
US-10570154-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders BRSK2, STK3, BRSK1 MAPK7 253/4885LRRK2 340/4885DCLK1 453/4885
US-10457692-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 MAPK7 292/4885LRRK2 324/4885DCLK1 483/4885
US-20160024115-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 MAPK7 292/4885LRRK2 324/4885DCLK1 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.