SCHEMBL20094145

SCHEMBL20094145

CC(C)N1C(=O)c2ccccc2N(C)c2nc(Cl)ncc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 11/20 0.50
▸ BRD4 O60885 6/20 0.50
▸ DCLK1 O15075 10/20 0.49
▸ MAPK7 Q13164 9/20 0.43
▸ PIK3CD O00329 3/20 0.42
▸ AURKA O14965 3/20 0.42
▸ PIK3C2G O75747 3/20 0.42
▸ PIK3CG P48736 3/20 0.42
▸ AURKB Q96GD4 3/20 0.42
▸ TTR P02766 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ NUAK1 O60285 2/20 0.38
▸ BRDT Q58F21 1/20 0.36
▸ GAK O14976 1/20 0.36
▸ TNK2 Q07912 1/20 0.36
▸ TNK1 Q13470 1/20 0.36
▸ DCLK2 Q8N568 1/20 0.36

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
SCHEMBL10098691 0.85 MAPK7 (0.56) LRRK2BRD4DCLK1MAPK7PIK3CD
SCHEMBL20094162 0.80 MAPK7 (0.51) LRRK2BRD4DCLK1MAPK7PIK3CD
SCHEMBL20094197 0.76 DCLK1 (0.53) LRRK2BRD4DCLK1MAPK7PIK3CD
SCHEMBL23144761 0.76 MAPK7 (0.53) LRRK2BRD4DCLK1MAPK7PIK3CD
SCHEMBL12043657 0.75 TTR (0.52) LRRK2TTRCES1
SCHEMBL14726017 0.72 TDP1 (0.47) TTRCES1
SCHEMBL8789585 0.72 ALDH1A1 (0.40) LRRK2BRD4DCLK1TTRCES1
SCHEMBL10098791 0.72 TNK2 (0.56) LRRK2MAPK7TNK2
SCHEMBL30526068 0.72 DCLK1 (0.52) LRRK2BRD4DCLK1MAPK7PIK3CD
SCHEMBL25357908 0.72 DCLK1 (0.52) LRRK2BRD4DCLK1MAPK7PIK3CD

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 4 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-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 162/4885BRD4 479/4885DCLK1 7/4885
US-11028089-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating DCLK1/2-mediated disorders CAMK1, CAMKK2, DCLK2 LRRK2 162/4885BRD4 479/4885DCLK1 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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