SCHEMBL618023

SCHEMBL618023

CN1C(=O)C2CCCC2N(C2CCCC2)c2nc(Nc3ccc4ncccc4c3)ncc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 2/20 1.00
PLK1 P53350 12/20 0.67
DYRK1A Q13627 1/20 0.67
PLK3 Q9H4B4 9/20 0.49
PLK2 Q9NYY3 9/20 0.49
BRD4 O60885 6/20 0.48
TAF1 P21675 2/20 0.47
PIP4K2A P48426 1/20 0.47
PIP4K2B P78356 1/20 0.47
PARP1 P09874 2/20 0.45
PRKDC P78527 1/20 0.43
SYK P43405 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
SCHEMBL10098798 1.00 MAPK7 (1.00) MAPK7PLK1DYRK1APLK3PLK2
SCHEMBL18271784 0.90 MAPK7 (0.81) MAPK7PLK1DYRK1APLK3PLK2
SCHEMBL21755708 0.87 MAPK7 (0.77) MAPK7PLK1DYRK1APLK3PLK2
SCHEMBL10098782 0.83 MAPK7 (0.71) MAPK7PLK1DYRK1APLK3PLK2
SCHEMBL619213 0.83 MAPK7 (0.71) MAPK7PLK1DYRK1APLK3PLK2
SCHEMBL10098775 0.80 PLK1 (1.00) MAPK7PLK1DYRK1APLK3PLK2
SCHEMBL616340 0.80 PLK1 (1.00) MAPK7PLK1DYRK1APLK3PLK2
SCHEMBL19103298 0.79 MAPK7 (0.65) MAPK7PLK1DYRK1APLK3PLK2
SCHEMBL10098784 0.74 PLK1 (0.61) MAPK7PLK1DYRK1APLK3PLK2
SCHEMBL10098788 0.74 PLK1 (0.63) 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.