SCHEMBL16065697

SCHEMBL16065697

CN1C(=O)c2cccc3c2N(CC3)c2nc(Nc3ccc(N4CCC(O)CC4)cc3)ncc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.72
DCLK1 O15075 8/20 0.72
TNK2 Q07912 5/20 0.59
MAPK7 Q13164 9/20 0.54
BRD4 O60885 3/20 0.52
TNK1 Q13470 2/20 0.52
DCLK2 Q8N568 2/20 0.52
PLK4 O00444 1/20 0.52
PI4KA P42356 1/20 0.52
RPS6KA3 P51812 1/20 0.52
PTK2 Q05397 1/20 0.52
RPS6KA2 Q15349 1/20 0.52
RPS6KA1 Q15418 1/20 0.52
BRDT Q58F21 1/20 0.52
PI4KB Q9UBF8 1/20 0.52
WEE1 P30291 1/20 0.51
PIK3CD O00329 2/20 0.49
PIK3C2G O75747 2/20 0.49
PIK3CG P48736 2/20 0.49
AURKA O14965 1/20 0.47

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
SCHEMBL16065704 0.87 LRRK2 (0.74) LRRK2DCLK1TNK2MAPK7BRD4
SCHEMBL16065702 0.85 LRRK2 (0.75) LRRK2DCLK1TNK2MAPK7BRD4
SCHEMBL16065733 0.84 TNK2 (0.67) LRRK2DCLK1TNK2MAPK7WEE1
SCHEMBL30797848 0.84 DCLK1 (1.00) LRRK2DCLK1TNK2MAPK7BRD4
SCHEMBL10098752 0.84 DCLK1 (1.00) LRRK2DCLK1TNK2MAPK7BRD4
SCHEMBL20628287 0.82 DCLK1 (0.66) LRRK2DCLK1TNK2MAPK7BRD4
SCHEMBL20628447 0.81 PIK3CG (0.67) LRRK2DCLK1MAPK7PIK3CDPIK3C2G
SCHEMBL16065700 0.81 LRRK2 (0.56) LRRK2DCLK1TNK2MAPK7BRD4
SCHEMBL16065701 0.78 LRRK2 (0.74) LRRK2DCLK1TNK2MAPK7BRD4
SCHEMBL17465842 0.77 DCLK1 (0.67) LRRK2DCLK1TNK2MAPK7BRD4

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-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-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
WO-2014145909-A2 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-09-18 WO 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 LRRK2 324/4885DCLK1 483/4885TNK2 53/4885
US-20190084998-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 LRRK2 324/4885DCLK1 483/4885TNK2 53/4885
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 LRRK2 324/4885DCLK1 483/4885TNK2 53/4885
US-10189861-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 LRRK2 324/4885DCLK1 483/4885TNK2 53/4885
US-20170283422-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 LRRK2 324/4885DCLK1 483/4885TNK2 53/4885
US-10457692-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 LRRK2 324/4885DCLK1 483/4885TNK2 53/4885
US-20160024115-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 LRRK2 324/4885DCLK1 483/4885TNK2 53/4885

“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.