SCHEMBL16065699

SCHEMBL16065699

CN1CCN(c2ccc(Nc3ncc4c(n3)N(C)c3ccc(-c5cccs5)cc3C(=O)N4C)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 8/20 0.57
▸ DCLK1 O15075 4/20 0.57
▸ MAPK7 Q13164 9/20 0.57
▸ TNK2 Q07912 3/20 0.56
▸ PIK3CD O00329 3/20 0.55
▸ PIK3C2G O75747 3/20 0.55
▸ PIK3CG P48736 3/20 0.55
▸ GAK O14976 1/20 0.55
▸ BRD4 O60885 1/20 0.55
▸ TNK1 Q13470 1/20 0.55
▸ DCLK2 Q8N568 1/20 0.55
▸ NUAK1 O60285 2/20 0.50
▸ MAP3K7 O43318 1/20 0.50
▸ FGFR1 P11362 1/20 0.50
▸ SRC P12931 1/20 0.50
▸ AURKA O14965 1/20 0.49
▸ AURKB Q96GD4 1/20 0.49

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
SCHEMBL16065698 0.88 LRRK2 (0.63) LRRK2DCLK1MAPK7TNK2PIK3CD
SCHEMBL16065760 0.87 MAPK7 (0.59) LRRK2DCLK1MAPK7TNK2PIK3CD
SCHEMBL22663677 0.84 MAPK7 (0.55) LRRK2DCLK1MAPK7TNK2PIK3CD
SCHEMBL10098748 0.83 LRRK2 (0.79) LRRK2DCLK1MAPK7TNK2PIK3CD
SCHEMBL22663641 0.83 MAPK7 (0.56) LRRK2DCLK1MAPK7TNK2PIK3CD
SCHEMBL20628296 0.79 STK3 (0.71) LRRK2DCLK1MAPK7TNK2PIK3CD
SCHEMBL10098757 0.78 TNK2 (0.71) LRRK2DCLK1MAPK7TNK2GAK
SCHEMBL17465883 0.75 DCLK1 (0.78) LRRK2DCLK1MAPK7TNK2PIK3CD
SCHEMBL10098751 0.74 NUAK1 (0.62) LRRK2DCLK1MAPK7TNK2PIK3CD
SCHEMBL17721088 0.74 DCLK1 (0.84) LRRK2DCLK1MAPK7TNK2PIK3CD

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
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
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 483/4885MAPK7 292/4885
US-20190084998-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 LRRK2 324/4885DCLK1 483/4885MAPK7 292/4885
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 LRRK2 324/4885DCLK1 483/4885MAPK7 292/4885
US-10189861-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 LRRK2 324/4885DCLK1 483/4885MAPK7 292/4885
US-20170283422-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 LRRK2 324/4885DCLK1 483/4885MAPK7 292/4885
US-10457692-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 LRRK2 324/4885DCLK1 483/4885MAPK7 292/4885
US-20160024115-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 LRRK2 324/4885DCLK1 483/4885MAPK7 292/4885

“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.

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