SCHEMBL20094404

SCHEMBL20094404

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 14/20 1.00
▸ MAPK7 Q13164 12/20 1.00
▸ DCLK1 O15075 11/20 1.00
▸ BRD4 O60885 6/20 1.00
▸ GAK O14976 1/20 0.67
▸ TNK2 Q07912 1/20 0.67
▸ TNK1 Q13470 1/20 0.67
▸ DCLK2 Q8N568 1/20 0.67
▸ NUAK1 O60285 1/20 0.60
▸ PIK3CD O00329 2/20 0.59
▸ AURKA O14965 2/20 0.59
▸ PIK3C2G O75747 2/20 0.59
▸ PIK3CG P48736 2/20 0.59
▸ AURKB Q96GD4 2/20 0.59
▸ BRDT Q58F21 1/20 0.57

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) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL31092850 0.91 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL20094143 0.91 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL20094174 0.88 LRRK2 (1.00) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL17469567 0.85 DCLK1 (1.00) LRRK2MAPK7DCLK1BRD4NUAK1
SCHEMBL17059944 0.84 LRRK2 (0.72) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL619514 0.82 LRRK2 (0.74) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL17721085 0.82 LRRK2 (0.74) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL619637 0.82 LRRK2 (0.77) LRRK2MAPK7DCLK1BRD4GAK
SCHEMBL17721095 0.80 LRRK2 (0.87) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3528814-B1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DCLK1/2-MEDIATED DISORDERS DANA FARBER CANCER INST INC (US) 2024-08-14 — — 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
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 162/4885MAPK7 589/4885DCLK1 7/4885
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.

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