SCHEMBL10098769

SCHEMBL10098769

COc1cc(N2CCNCC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 17/20 1.00
MAPK7 Q13164 17/20 1.00
DCLK1 O15075 13/20 1.00
BRD4 O60885 4/20 0.86
TNK2 Q07912 2/20 0.86
TNK1 Q13470 2/20 0.86
DCLK2 Q8N568 2/20 0.86
GAK O14976 1/20 0.86
PTK2 Q05397 2/20 0.71
PLK4 O00444 1/20 0.71
PI4KA P42356 1/20 0.71
RPS6KA3 P51812 1/20 0.71
RPS6KA2 Q15349 1/20 0.71
RPS6KA1 Q15418 1/20 0.71
BRDT Q58F21 1/20 0.71
PI4KB Q9UBF8 1/20 0.71

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
SCHEMBL17721095 0.92 LRRK2 (0.87) LRRK2MAPK7DCLK1BRD4TNK2
SCHEMBL618262 0.92 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4TNK2
SCHEMBL29360090 0.92 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4TNK2
SCHEMBL31092834 0.92 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4TNK2
SCHEMBL17721080 0.91 LRRK2 (0.86) LRRK2MAPK7DCLK1BRD4TNK2
SCHEMBL10098768 0.91 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4TNK2
SCHEMBL618577 0.90 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4TNK2
SCHEMBL616301 0.87 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4TNK2
SCHEMBL23144737 0.86 LRRK2 (0.80) LRRK2MAPK7DCLK1BRD4TNK2
SCHEMBL29850674 0.86 LRRK2 (0.80) LRRK2MAPK7DCLK1BRD4TNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4034132-B1 ERK5 DEGRADERS AS THERAPEUTICS IN CANCER AND INFLAMMATORY DISEASES DANA FARBER CANCER INST INC (US) 2026-02-25 EP disclosed
US-12551563-B2 ERK5 degraders as therapeutics in cancer and inflammatory diseases DANA-FARBER CANCER INSTITUTE, INC. (US) 2026-02-17 US disclosed
US-20220378919-A1 ERK5 DEGRADERS AS THERAPEUTICS IN CANCER AND INFLAMMATORY DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-01 US disclosed
EP-4034132-A1 ERK5 DEGRADERS AS THERAPEUTICS IN CANCER AND INFLAMMATORY DISEASES Dana-Farber Cancer Institute, Inc. (US) 2022-08-03 EP disclosed
WO-2021061894-A1 ERK5 DEGRADERS AS THERAPEUTICS IN CANCER AND INFLAMMATORY DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-01 WO 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-20190084998-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-03-21 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 (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 LRRK2 324/4885MAPK7 292/4885DCLK1 483/4885
US-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, BRSK1, TAOK3 LRRK2 364/4885MAPK7 263/4885DCLK1 480/4885
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-20160122357-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 LRRK2 340/4885MAPK7 253/4885DCLK1 453/4885
US-10570154-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders BRSK2, STK3, BRSK1 LRRK2 340/4885MAPK7 253/4885DCLK1 453/4885
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
US-12551563-B2 ERK5 degraders as therapeutics in cancer and inflammatory diseases OXSR1, MAPK1, NGFR LRRK2 340/4885MAPK7 30/4885DCLK1 2710/4885
US-20220378919-A1 ERK5 DEGRADERS AS THERAPEUTICS IN CANCER AND INFLAMMATORY DISEASES MAPKAPK5, DUSP5, MAP3K5 LRRK2 427/4885MAPK7 60/4885DCLK1 2099/4885

“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.