SCHEMBL616761

SCHEMBL616761

COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 12/20 1.00
BRD4 O60885 7/20 1.00
BRDT Q58F21 3/20 1.00
DCLK1 O15075 7/20 0.94
MAPK7 Q13164 12/20 0.90
NUAK1 O60285 1/20 0.84
PTK2 Q05397 1/20 0.73
GAK O14976 1/20 0.67
TNK2 Q07912 1/20 0.67
TNK1 Q13470 1/20 0.67
DCLK2 Q8N568 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
SCHEMBL29596956 1.00 LRRK2 (1.00) LRRK2BRD4BRDTDCLK1MAPK7
SCHEMBL29389108 1.00 LRRK2 (1.00) LRRK2BRD4BRDTDCLK1MAPK7
SCHEMBL616960 0.95 LRRK2 (0.90) LRRK2BRD4BRDTDCLK1MAPK7
SCHEMBL616339 0.95 MAPK7 (1.00) LRRK2BRD4BRDTDCLK1MAPK7
SCHEMBL16065732 0.94 MAPK7 (0.89) LRRK2BRD4BRDTDCLK1MAPK7
SCHEMBL619716 0.93 NUAK1 (0.95) LRRK2BRD4BRDTDCLK1MAPK7
SCHEMBL17465882 0.93 MAPK7 (0.88) LRRK2BRD4BRDTDCLK1MAPK7
SCHEMBL16065728 0.92 LRRK2 (1.00) LRRK2BRD4BRDTDCLK1MAPK7
SCHEMBL16065723 0.92 LRRK2 (0.86) LRRK2BRD4BRDTDCLK1MAPK7
SCHEMBL18371570 0.92 LRRK2 (0.86) LRRK2BRD4BRDTDCLK1MAPK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240100063-A1 COMBINATION THERAPY OF PD-1 AXIS BINDING ANTAGONISTS AND LRRK2 INHITIBORS HOFFMANN-LA ROCHE INC. (US) 2024-03-28 US claimed
US-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE (US) 2012-02-16 US claimed
US-20240100063-A1 COMBINATION THERAPY OF PD-1 AXIS BINDING ANTAGONISTS AND LRRK2 INHITIBORS HOFFMANN-LA ROCHE INC. (US) 2024-03-28 US disclosed
US-20230248740-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer NATIONAL CANCER CENTER (KR) 2023-08-10 US disclosed
US-20230248740-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer NATIONAL CANCER CENTER (KR) 2023-08-10 US disclosed
US-20230248740-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer NATIONAL CANCER CENTER (KR) 2023-08-10 US disclosed
US-20230181596-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer SAMSUNG LIFE PUBLIC WELFARE FOUNDATION (KR) 2023-06-15 US disclosed
US-20230181596-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer SAMSUNG LIFE PUBLIC WELFARE FOUNDATION (KR) 2023-06-15 US disclosed
US-20230181596-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer SAMSUNG LIFE PUBLIC WELFARE FOUNDATION (KR) 2023-06-15 US disclosed
US-20220204515-A1 PYRROLOPYRIMIDINE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-30 US disclosed
US-20210230538-A1 USES OF KINASE INHIBITORS FOR INDUCING AND MAINTAINING PLURIPOTENCY WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2021-07-29 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-2015176010-A1 TREATMENT OR PREVENTION OF AN INTESTINAL DISEASE OR DISORDER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENTOF HEALTH & HUMAN SERVICES (US) 2015-11-19 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 (5 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 364/4885BRD4 555/4885BRDT 783/4885
US-20240100063-A1 COMBINATION THERAPY OF PD-1 AXIS BINDING ANTAGONISTS AND LRRK2 INHITIBORS LRRK2, PDCD1, CD274 LRRK2 1/4885BRD4 68/4885BRDT 259/4885
US-20220204515-A1 PYRROLOPYRIMIDINE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 LRRK2, PARK7, PINK1 LRRK2 1/4885BRD4 1849/4885BRDT 3045/4885
US-20230248740-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer LRRK2, FABP7, PARK7 LRRK2 1/4885BRD4 3044/4885BRDT 3481/4885
US-20230181596-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer LRRK2, FABP7, PARK7 LRRK2 1/4885BRD4 3044/4885BRDT 3481/4885

“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.