SCHEMBL17465874

SCHEMBL17465874

CN1C(=O)c2ccccc2N(C)c2nc(Nc3cnn(C4CCOCC4)c3)ncc21

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUAK1 O60285 6/20 0.82
AURKB Q96GD4 3/20 0.68
AURKC Q9UQB9 1/20 0.68
DCLK1 O15075 9/20 0.59
LRRK2 Q5S007 9/20 0.59
MAPK7 Q13164 7/20 0.57
PIK3CD O00329 2/20 0.55
AURKA O14965 2/20 0.55
PIK3C2G O75747 2/20 0.55
PIK3CG P48736 2/20 0.55
NUAK2 Q9H093 1/20 0.51
JAK2 O60674 2/20 0.51
JAK1 P23458 2/20 0.51
TYK2 P29597 2/20 0.51
JAK3 P52333 2/20 0.51
BRD4 O60885 2/20 0.49
PLK4 O00444 1/20 0.48
PI4KA P42356 1/20 0.48
RPS6KA3 P51812 1/20 0.48
PTK2 Q05397 1/20 0.48

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
SCHEMBL17465873 0.91 NUAK1 (0.79) NUAK1AURKBAURKCDCLK1LRRK2
SCHEMBL16065756 0.90 NUAK1 (0.83) NUAK1AURKBAURKCDCLK1LRRK2
SCHEMBL29710723 0.90 NUAK1 (1.00) NUAK1AURKBAURKCDCLK1LRRK2
SCHEMBL16065790 0.90 NUAK1 (1.00) NUAK1AURKBAURKCDCLK1LRRK2
SCHEMBL17465872 0.84 NUAK1 (0.72) NUAK1AURKBAURKCDCLK1LRRK2
SCHEMBL17465863 0.82 NUAK1 (0.73) NUAK1AURKBAURKCDCLK1LRRK2
SCHEMBL16065739 0.81 NUAK1 (1.00) NUAK1AURKBAURKCDCLK1LRRK2
SCHEMBL17465883 0.81 DCLK1 (0.78) NUAK1AURKBDCLK1LRRK2MAPK7
SCHEMBL17465886 0.80 LRRK2 (0.77) NUAK1AURKBDCLK1LRRK2MAPK7
SCHEMBL17465877 0.80 NUAK1 (0.68) NUAK1AURKBAURKCDCLK1LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3738964-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS Dana Farber Cancer Institute, Inc. (US) 2020-11-18 EP disclosed
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-29 US disclosed
US-20200071340-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-03-05 US disclosed
US-10457692-B2 Pyrimido-diazepinone compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-10-29 US disclosed
US-20190084998-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-03-21 US disclosed
US-10189861-B2 Pyrimido-diazepinone compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-29 US disclosed
US-20170283422-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2017-10-05 US disclosed
US-20170283422-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2017-10-05 US disclosed
US-9676792-B2 Pyrimido-diazepinone compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-06-13 US disclosed
US-9676792-B2 Pyrimido-diazepinone compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-06-13 US disclosed
US-20160024115-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2016-01-28 US disclosed
US-20160024115-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2016-01-28 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 (7 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-20200071340-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 NUAK1 437/4885AURKB 118/4885AURKC 22/4885
US-20190084998-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 NUAK1 437/4885AURKB 118/4885AURKC 22/4885
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 NUAK1 437/4885AURKB 118/4885AURKC 22/4885
US-10189861-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 NUAK1 437/4885AURKB 118/4885AURKC 22/4885
US-20170283422-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 NUAK1 437/4885AURKB 118/4885AURKC 22/4885
US-10457692-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 NUAK1 437/4885AURKB 118/4885AURKC 22/4885
US-20160024115-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 NUAK1 437/4885AURKB 118/4885AURKC 22/4885

“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.