SCHEMBL21473578

SCHEMBL21473578

CCN1C(=O)c2ccccc2N(C)c2nc(Nc3ccc(C(O)N4CCC(N5CCCC5)CC4)cc3OC)ncc21

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 13/20 0.63
LRRK2 Q5S007 16/20 0.63
DCLK1 O15075 12/20 0.63
BRD4 O60885 7/20 0.63
BRDT Q58F21 1/20 0.57
GAK O14976 1/20 0.52
TNK2 Q07912 1/20 0.52
TNK1 Q13470 1/20 0.52
DCLK2 Q8N568 1/20 0.52
PTK2 Q05397 1/20 0.51

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
SCHEMBL20094525 0.86 MAPK7 (0.85) MAPK7LRRK2DCLK1BRD4BRDT
SCHEMBL18371570 0.81 LRRK2 (0.86) MAPK7LRRK2DCLK1BRD4BRDT
SCHEMBL18313552 0.80 MAPK7 (0.78) MAPK7LRRK2DCLK1BRD4BRDT
SCHEMBL20094196 0.79 LRRK2 (0.76) MAPK7LRRK2DCLK1BRD4GAK
SCHEMBL21784112 0.79 MAPK7 (0.76) MAPK7LRRK2DCLK1BRD4BRDT
SCHEMBL618312 0.79 LRRK2 (0.84) MAPK7LRRK2DCLK1BRD4BRDT
SCHEMBL17721081 0.78 LRRK2 (0.85) MAPK7LRRK2DCLK1BRD4BRDT
SCHEMBL31092831 0.78 LRRK2 (1.00) MAPK7LRRK2DCLK1BRD4GAK
SCHEMBL20094504 0.78 LRRK2 (1.00) MAPK7LRRK2DCLK1BRD4GAK
SCHEMBL616339 0.78 MAPK7 (1.00) MAPK7LRRK2DCLK1BRD4BRDT

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 2 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-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

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 MAPK7 589/4885LRRK2 162/4885DCLK1 7/4885
US-11028089-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating DCLK1/2-mediated disorders CAMK1, CAMKK2, DCLK2 MAPK7 589/4885LRRK2 162/4885DCLK1 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.