SCHEMBL619295

SCHEMBL619295

CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 14/20 1.00
▸ MAPK7 Q13164 14/20 1.00
▸ DCLK1 O15075 13/20 1.00
▸ TNK2 Q07912 4/20 1.00
▸ BRD4 O60885 3/20 1.00
▸ TNK1 Q13470 2/20 1.00
▸ DCLK2 Q8N568 2/20 1.00
▸ PLK4 O00444 2/20 1.00
▸ PI4KA P42356 1/20 1.00
▸ RPS6KA3 P51812 1/20 1.00
▸ PTK2 Q05397 1/20 1.00
▸ RPS6KA2 Q15349 1/20 1.00
▸ RPS6KA1 Q15418 1/20 1.00
▸ BRDT Q58F21 1/20 1.00
▸ PI4KB Q9UBF8 1/20 1.00
▸ GAK O14976 2/20 0.72
▸ TTK P33981 1/20 0.67
▸ PLK1 P53350 1/20 0.67
▸ STK33 Q9BYT3 1/20 0.67
▸ PLK3 Q9H4B4 1/20 0.67

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
SCHEMBL29356878 1.00 LRRK2 (1.00) LRRK2MAPK7DCLK1TNK2BRD4
SCHEMBL29372331 1.00 LRRK2 (1.00) LRRK2MAPK7DCLK1TNK2BRD4
Trifluoroacetic Acid SCHEMBL30842197 0.94 LRRK2 (0.89) LRRK2MAPK7DCLK1TNK2BRD4
SCHEMBL17721077 0.93 LRRK2 (0.87) LRRK2MAPK7DCLK1TNK2BRD4
SCHEMBL618577 0.93 LRRK2 (1.00) LRRK2MAPK7DCLK1TNK2BRD4
SCHEMBL24307410 0.92 LRRK2 (0.84) LRRK2MAPK7DCLK1TNK2BRD4
SCHEMBL29582720 0.91 LRRK2 (0.83) LRRK2MAPK7DCLK1TNK2BRD4
SCHEMBL24334887 0.91 LRRK2 (0.83) LRRK2MAPK7DCLK1TNK2BRD4
SCHEMBL24334136 0.91 LRRK2 (0.83) LRRK2MAPK7DCLK1TNK2BRD4
SCHEMBL617027 0.91 LRRK2 (1.00) LRRK2MAPK7DCLK1TNK2BRD4

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
US-20250270507-A1 METHODS FOR PRODUCING CARTILAGE AND BONES MURDOCH CHILDREN'S RESEARCH INSTITUTE OF THE ROYAL CHILDREN'S HOSPITAL (AU) 2025-08-28 — — US disclosed
US-20240408145-A1 Gene Therapy OSPEDALE SAN RAFFAELE SRL (IT) 2024-12-12 — — US disclosed
CN-118355110-A Method for producing cartilage and bone 默多克儿童研究所 2024-07-16 — — CN disclosed
US-20230159894-A1 GENERATING POPULATIONS OF HUMAN BLOOD AND BLOOD VESSEL PROGENITORS FROM PLURIPOTENT STEM CELLS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-05-25 — — US disclosed
US-20220031710-A1 USE OF ERK5 INHIBITORS FOR TREATING GLIOMAS IN PEDIATRIC SUBJECTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-02-03 — — 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-10787640-B2 Producing mesodermal cell types and methods of using the same THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-09-29 — — 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20160122357-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 LRRK2 340/4885MAPK7 253/4885DCLK1 453/4885
US-20240408145-A1 Gene Therapy MCL1, DNASE1L3, CDKN1A LRRK2 2330/4885MAPK7 3690/4885DCLK1 928/4885
US-20220031710-A1 USE OF ERK5 INHIBITORS FOR TREATING GLIOMAS IN PEDIATRIC SUBJECTS DOT1L, IQGAP1, EZH2 LRRK2 849/4885MAPK7 133/4885DCLK1 653/4885
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

“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.

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