SCHEMBL618240

SCHEMBL618240

COc1cc(C(N)=O)ccc1Nc1ncc2c(n1)N(C1CCCC1)C1CCCC1C(=O)N2C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.75
MAPK7 Q13164 2/20 0.75
DYRK1A Q13627 1/20 0.75
PLK3 Q9H4B4 6/20 0.67
PLK2 Q9NYY3 4/20 0.67
BRD4 O60885 15/20 0.66
BRDT Q58F21 13/20 0.66
PRKD3 O94806 3/20 0.63
CLK2 P49760 3/20 0.63
PTK2 Q05397 3/20 0.63
CAMK2G Q13555 3/20 0.63
CAMK2D Q13557 3/20 0.63
PRKD2 Q9BZL6 3/20 0.63
CSNK1G1 Q9HCP0 3/20 0.63
CSNK1G3 Q9Y6M4 3/20 0.63
MAP4K4 O95819 2/20 0.63
PRKCG P05129 2/20 0.63
RPS6KA3 P51812 2/20 0.63
NEK4 P51957 2/20 0.63
SRPK1 Q96SB4 1/20 0.63

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
SCHEMBL10098789 1.00 PLK1 (0.75) PLK1MAPK7DYRK1APLK3PLK2
SCHEMBL10098781 0.93 PLK1 (0.69) PLK1MAPK7DYRK1APLK3PLK2
SCHEMBL618641 0.93 PLK1 (0.69) PLK1MAPK7DYRK1APLK3PLK2
SCHEMBL619364 0.91 PLK1 (0.69) PLK1MAPK7DYRK1APLK3PLK2
SCHEMBL13611485 0.91 PLK1 (0.69) PLK1MAPK7DYRK1APLK3PLK2
SCHEMBL4299436 0.91 PLK1 (0.69) PLK1MAPK7DYRK1APLK3PLK2
SCHEMBL2397131 0.91 PLK1 (0.69) PLK1MAPK7DYRK1APLK3PLK2
SCHEMBL618948 0.89 PLK1 (0.74) PLK1MAPK7DYRK1APLK3PLK2
SCHEMBL10098805 0.89 PLK1 (0.74) PLK1MAPK7DYRK1APLK3PLK2
SCHEMBL10098783 0.88 BRD4 (0.73) PLK1MAPK7DYRK1APLK3PLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2379559-A2 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS Dana Farber Cancer Institute (US) 2011-10-26 EP claimed
WO-2010080712-A2 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INSTITUTE (US) 2010-07-15 WO claimed
EP-3255047-B1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND USES IN TREATING DISORDERS DANA FARBER CANCER INST INC (US) 2021-06-30 EP disclosed
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-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-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

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

For each of this compound's patents that has machine-readable text (4 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 PLK1 109/4885MAPK7 263/4885DYRK1A 363/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 PLK1 31/4885MAPK7 295/4885DYRK1A 670/4885
US-20180362545-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 PLK1 110/4885MAPK7 253/4885DYRK1A 350/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 PLK1 31/4885MAPK7 295/4885DYRK1A 670/4885

“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.