SCHEMBL618262

SCHEMBL618262

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 18/20 1.00
MAPK7 Q13164 17/20 1.00
DCLK1 O15075 13/20 1.00
BRD4 O60885 3/20 1.00
GAK O14976 1/20 1.00
TNK2 Q07912 1/20 1.00
TNK1 Q13470 1/20 1.00
DCLK2 Q8N568 1/20 1.00

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
SCHEMBL31092834 1.00 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL29360090 1.00 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL17721095 0.93 LRRK2 (0.87) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL616301 0.93 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL10098769 0.92 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL17721080 0.92 LRRK2 (0.86) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL10098768 0.92 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL10098758 0.91 LRRK2 (0.84) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL20094180 0.91 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL31092828 0.91 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 49 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-3255047-B1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND USES IN TREATING DISORDERS DANA FARBER CANCER INST INC (US) 2021-06-30 EP disclosed
US-11028089-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating DCLK1/2-mediated disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-06-08 US disclosed
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-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 US disclosed
US-10793571-B2 Uses of diazepane derivatives DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-06 US disclosed
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-07 US disclosed
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2020-07-02 US disclosed
WO-2020132459-A1 QUINOLINYL-PYRAZINE-CARBOXAMIDE COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-06-25 WO 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-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
WO-2015196072-A2 USES OF KINASE INHIBITORS FOR INDUCING AND MAINTAINING PLURIPOTENCY WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-12-23 WO disclosed
WO-2015117087-A1 USES OF DIAZEPANE DERIVATIVES DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-08-06 WO disclosed
WO-2015117083-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-08-06 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
US-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE (US) 2012-02-16 US disclosed
WO-2010080712-A2 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INSTITUTE (US) 2010-07-15 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-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, BRSK1, TAOK3 LRRK2 364/4885MAPK7 263/4885DCLK1 480/4885
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors CHUK, BCOR, MYC LRRK2 1732/4885MAPK7 688/4885DCLK1 1082/4885
US-10570154-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders BRSK2, STK3, BRSK1 LRRK2 340/4885MAPK7 253/4885DCLK1 453/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 LRRK2 1497/4885MAPK7 295/4885DCLK1 1124/4885
US-10793571-B2 Uses of diazepane derivatives BRDT, BRD4, BRD3 LRRK2 1196/4885MAPK7 1861/4885DCLK1 3728/4885
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC LRRK2 1732/4885MAPK7 688/4885DCLK1 1082/4885
US-11028089-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating DCLK1/2-mediated disorders CAMK1, CAMKK2, DCLK2 LRRK2 162/4885MAPK7 589/4885DCLK1 7/4885

“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.