SCHEMBL16065733

SCHEMBL16065733

O=C1Nc2cnc(Nc3ccc(N4CCC(O)CC4)cc3)nc2N2CCc3cccc1c32

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 16/20 0.67
LRRK2 Q5S007 2/20 0.54
DCLK1 O15075 1/20 0.54
WEE1 P30291 1/20 0.49
SYK P43405 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
MAPK7 Q13164 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
SCHEMBL16065697 0.84 LRRK2 (0.72) TNK2LRRK2DCLK1WEE1MAPK7
SCHEMBL16065780 0.80 TNK2 (1.00) TNK2LRRK2DCLK1MAPK7
SCHEMBL16065696 0.77 TNK2 (0.77) TNK2LRRK2DCLK1MAPK7
SCHEMBL16065840 0.74 TNK2 (0.75) TNK2LRRK2DCLK1MAPK7
SCHEMBL22663635 0.73 TNK2 (0.70) TNK2LRRK2DCLK1SYK
SCHEMBL16065668 0.73 TNK2 (0.63) TNK2LRRK2DCLK1WEE1SYK
SCHEMBL16065695 0.73 TNK2 (0.39) TNK2GSK3B
SCHEMBL16065704 0.72 LRRK2 (0.74) TNK2LRRK2DCLK1MAPK7
SCHEMBL29767866 0.72 TNK2 (0.67) TNK2LRRK2DCLK1SYK
SCHEMBL16065839 0.71 TNK2 (0.82) TNK2LRRK2DCLK1MAPK7

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 TNK2 53/4885LRRK2 324/4885DCLK1 483/4885
US-20190084998-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 TNK2 53/4885LRRK2 324/4885DCLK1 483/4885
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 TNK2 53/4885LRRK2 324/4885DCLK1 483/4885
US-10189861-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 TNK2 53/4885LRRK2 324/4885DCLK1 483/4885
US-20170283422-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 TNK2 53/4885LRRK2 324/4885DCLK1 483/4885
US-10457692-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 TNK2 53/4885LRRK2 324/4885DCLK1 483/4885
US-20160024115-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 TNK2 53/4885LRRK2 324/4885DCLK1 483/4885

“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.