SCHEMBL20094174

SCHEMBL20094174

COc1cc(NS(C)(=O)=O)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2CC(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 16/20 1.00
▸ DCLK1 O15075 16/20 1.00
▸ BRD4 O60885 9/20 0.83
▸ MAPK7 Q13164 12/20 0.78
▸ GAK O14976 1/20 0.53
▸ TNK2 Q07912 1/20 0.53
▸ TNK1 Q13470 1/20 0.53
▸ DCLK2 Q8N568 1/20 0.53

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
SCHEMBL20094173 0.91 LRRK2 (1.00) LRRK2DCLK1BRD4MAPK7GAK
SCHEMBL31092850 0.91 LRRK2 (1.00) LRRK2DCLK1BRD4MAPK7GAK
SCHEMBL20094404 0.88 LRRK2 (1.00) LRRK2DCLK1BRD4MAPK7GAK
SCHEMBL31092825 0.86 LRRK2 (0.76) LRRK2DCLK1BRD4MAPK7GAK
SCHEMBL20094143 0.84 LRRK2 (1.00) LRRK2DCLK1BRD4MAPK7GAK
SCHEMBL20094134 0.83 LRRK2 (1.00) LRRK2DCLK1BRD4MAPK7GAK
SCHEMBL30274955 0.83 LRRK2 (1.00) LRRK2DCLK1BRD4MAPK7GAK
SCHEMBL20094426 0.79 BRD4 (1.00) LRRK2DCLK1BRD4MAPK7
SCHEMBL20094196 0.77 LRRK2 (0.76) LRRK2DCLK1BRD4MAPK7GAK
SCHEMBL20094144 0.77 DCLK1 (0.80) LRRK2DCLK1BRD4MAPK7TNK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20190315753-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DCLK1/2-MEDIATED DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-10-17 — — US disclosed
US-20190315753-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DCLK1/2-MEDIATED DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-10-17 — — US disclosed
WO-2018075608-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DCLK1/2-MEDIATED DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-26 — — 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 (2 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-20190315753-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DCLK1/2-MEDIATED DISORDERS CAMK1, CAMKK2, DCLK2 LRRK2 162/4885DCLK1 7/4885BRD4 479/4885
US-11028089-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating DCLK1/2-mediated disorders CAMK1, CAMKK2, DCLK2 LRRK2 162/4885DCLK1 7/4885BRD4 479/4885

“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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