SCHEMBL10098745

SCHEMBL10098745

COC(=O)c1ccc(OC)c(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3C)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 14/20 0.64
LRRK2 Q5S007 13/20 0.64
DCLK1 O15075 10/20 0.64
BRD4 O60885 6/20 0.64
NUAK1 O60285 1/20 0.64
GAK O14976 1/20 0.61
TNK2 Q07912 1/20 0.61
TNK1 Q13470 1/20 0.61
DCLK2 Q8N568 1/20 0.61
BRDT Q58F21 1/20 0.61
PIK3CD O00329 1/20 0.54
AURKA O14965 1/20 0.54
PIK3C2G O75747 1/20 0.54
PIK3CG P48736 1/20 0.54
AURKB Q96GD4 1/20 0.54

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
SCHEMBL616711 0.93 LRRK2 (0.67) MAPK7LRRK2DCLK1BRD4NUAK1
SCHEMBL619514 0.93 LRRK2 (0.74) MAPK7LRRK2DCLK1BRD4NUAK1
SCHEMBL17721082 0.90 MAPK7 (0.61) MAPK7LRRK2DCLK1BRD4NUAK1
SCHEMBL17721084 0.90 MAPK7 (0.61) MAPK7LRRK2DCLK1BRD4NUAK1
SCHEMBL619637 0.85 LRRK2 (0.77) MAPK7LRRK2DCLK1BRD4NUAK1
SCHEMBL17721085 0.85 LRRK2 (0.74) MAPK7LRRK2DCLK1BRD4NUAK1
SCHEMBL17839842 0.85 MAPK7 (0.71) MAPK7LRRK2DCLK1BRD4NUAK1
SCHEMBL619286 0.85 MAPK7 (0.88) MAPK7LRRK2DCLK1BRD4NUAK1
SCHEMBL619325 0.85 BRD4 (0.90) MAPK7LRRK2DCLK1BRD4NUAK1
SCHEMBL16974435 0.83 BRD4 (0.68) MAPK7LRRK2DCLK1BRD4NUAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10570154-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-02-25 US disclosed
US-20170260208-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-09-14 US disclosed
US-20170260208-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-09-14 US disclosed
US-9701683-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-07-11 US disclosed
US-9701683-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-07-11 US disclosed
US-20160347755-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2016-12-01 US disclosed
US-20160347755-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2016-12-01 US disclosed
US-9464091-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-11 US disclosed
US-9464091-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-11 US disclosed
US-20160122357-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2016-05-05 US disclosed
US-20160122357-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2016-05-05 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
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 MAPK7 263/4885LRRK2 364/4885DCLK1 480/4885
US-20160122357-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 MAPK7 253/4885LRRK2 340/4885DCLK1 453/4885
US-10570154-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders BRSK2, STK3, BRSK1 MAPK7 253/4885LRRK2 340/4885DCLK1 453/4885
US-20160347755-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 MAPK7 263/4885LRRK2 403/4885DCLK1 489/4885
US-20170260208-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 MAPK7 253/4885LRRK2 340/4885DCLK1 453/4885

“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.