SCHEMBL619213

SCHEMBL619213

CN1C(=O)C2CCCC2N(C2CCCC2)c2nc(Nc3cccc4ncccc34)ncc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 2/20 0.71
PLK1 P53350 16/20 0.60
DYRK1A Q13627 1/20 0.60
PLK3 Q9H4B4 11/20 0.44
PLK2 Q9NYY3 10/20 0.44
BRD4 O60885 6/20 0.43
BRDT Q58F21 3/20 0.43
ALK Q9UM73 1/20 0.43
PARP1 P09874 1/20 0.43
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PRKCG P05129 1/20 0.42
CLK2 P49760 1/20 0.42
RPS6KA3 P51812 1/20 0.42
NEK4 P51957 1/20 0.42
PTK2 Q05397 1/20 0.42
CAMK2G Q13555 1/20 0.42
CAMK2D Q13557 1/20 0.42
SRPK1 Q96SB4 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42

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
SCHEMBL10098782 1.00 MAPK7 (0.71) MAPK7PLK1DYRK1APLK3PLK2
SCHEMBL618023 0.83 MAPK7 (1.00) MAPK7PLK1DYRK1APLK3PLK2
SCHEMBL10098798 0.83 MAPK7 (1.00) MAPK7PLK1DYRK1APLK3PLK2
SCHEMBL19105505 0.79 MAPK7 (0.46) MAPK7PLK1PLK3PLK2BRD4
SCHEMBL18271784 0.77 MAPK7 (0.81) MAPK7PLK1DYRK1APLK3PLK2
SCHEMBL616340 0.75 PLK1 (1.00) MAPK7PLK1DYRK1APLK3PLK2
SCHEMBL10098775 0.75 PLK1 (1.00) MAPK7PLK1DYRK1APLK3PLK2
SCHEMBL618641 0.74 PLK1 (0.69) MAPK7PLK1DYRK1APLK3PLK2
SCHEMBL10098781 0.74 PLK1 (0.69) MAPK7PLK1DYRK1APLK3PLK2
SCHEMBL10098789 0.74 PLK1 (0.75) MAPK7PLK1DYRK1APLK3PLK2

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 5 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-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

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