SCHEMBL618351

SCHEMBL618351

CC(C)Oc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)C1CCCC1C(=O)N2C

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.62
TAF1 P21675 2/20 0.62
MAPK7 Q13164 7/20 0.61
LRRK2 Q5S007 5/20 0.61
BRDT Q58F21 8/20 0.61
PLK1 P53350 8/20 0.61
DCLK1 O15075 2/20 0.59
PTK2 Q05397 1/20 0.58
DYRK1A Q13627 1/20 0.55
ALK Q9UM73 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
SCHEMBL10098786 1.00 BRD4 (0.62) BRD4TAF1MAPK7LRRK2BRDT
SCHEMBL618948 0.89 PLK1 (0.74) BRD4TAF1MAPK7LRRK2BRDT
SCHEMBL10098805 0.89 PLK1 (0.74) BRD4TAF1MAPK7LRRK2BRDT
SCHEMBL21755670 0.86 MAPK7 (0.61) BRD4TAF1MAPK7LRRK2BRDT
SCHEMBL10098783 0.86 BRD4 (0.73) BRD4TAF1MAPK7BRDTPLK1
SCHEMBL616163 0.86 BRD4 (0.73) BRD4TAF1MAPK7BRDTPLK1
SCHEMBL19105962 0.83 BRD4 (0.60) BRD4TAF1MAPK7LRRK2BRDT
SCHEMBL619272 0.81 LRRK2 (0.65) BRD4MAPK7LRRK2PLK1DCLK1
SCHEMBL10098728 0.81 LRRK2 (0.65) BRD4MAPK7LRRK2PLK1DCLK1
SCHEMBL10098781 0.80 PLK1 (0.69) BRD4TAF1MAPK7BRDTPLK1

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 9 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 claimed
US-20180362545-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-12-20 US claimed
US-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE (US) 2012-02-16 US claimed
EP-3828185-A2 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS Dana Farber Cancer Institute, Inc. (US) 2021-06-02 EP disclosed
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo BROWN DENNIS M (US) 2019-08-20 US disclosed
US-10081639-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-09-25 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-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2016-08-25 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-10081639-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders BRSK2, STK3, BRSK1 BRD4 614/4885TAF1 1629/4885MAPK7 253/4885
US-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, BRSK1, TAOK3 BRD4 555/4885TAF1 1732/4885MAPK7 263/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 BRD4 396/4885TAF1 2788/4885MAPK7 295/4885
US-20160122357-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 BRD4 614/4885TAF1 1629/4885MAPK7 253/4885
US-10570154-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders BRSK2, STK3, BRSK1 BRD4 614/4885TAF1 1629/4885MAPK7 253/4885
US-20180362545-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 BRD4 614/4885TAF1 1629/4885MAPK7 253/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 BRD4 396/4885TAF1 2788/4885MAPK7 295/4885
US-20170260208-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 BRD4 614/4885TAF1 1629/4885MAPK7 253/4885

“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.