SCHEMBL10098752

SCHEMBL10098752

CN1C(=O)c2ccccc2N(C)c2nc(Nc3ccc(N4CCC(O)CC4)cc3)ncc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLK1 O15075 10/20 1.00
LRRK2 Q5S007 10/20 1.00
TNK2 Q07912 5/20 0.76
MAPK7 Q13164 11/20 0.74
BRD4 O60885 2/20 0.71
TNK1 Q13470 2/20 0.71
DCLK2 Q8N568 2/20 0.71
PLK4 O00444 1/20 0.71
PI4KA P42356 1/20 0.71
RPS6KA3 P51812 1/20 0.71
PTK2 Q05397 1/20 0.71
RPS6KA2 Q15349 1/20 0.71
RPS6KA1 Q15418 1/20 0.71
BRDT Q58F21 1/20 0.71
PI4KB Q9UBF8 1/20 0.71
PIK3CD O00329 2/20 0.62
PIK3C2G O75747 2/20 0.62
PIK3CG P48736 2/20 0.62
AURKA O14965 1/20 0.62
AURKB Q96GD4 1/20 0.62

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
SCHEMBL30797848 1.00 DCLK1 (1.00) DCLK1LRRK2TNK2MAPK7BRD4
SCHEMBL17721088 0.92 DCLK1 (0.84) DCLK1LRRK2TNK2MAPK7BRD4
SCHEMBL619501 0.89 MAPK7 (0.83) DCLK1LRRK2TNK2MAPK7BRD4
SCHEMBL22137421 0.89 DCLK1 (0.80) DCLK1LRRK2TNK2MAPK7BRD4
SCHEMBL10098748 0.89 LRRK2 (0.79) DCLK1LRRK2TNK2MAPK7BRD4
SCHEMBL17465883 0.88 DCLK1 (0.78) DCLK1LRRK2TNK2MAPK7BRD4
SCHEMBL10098761 0.87 LRRK2 (1.00) DCLK1LRRK2TNK2MAPK7BRD4
SCHEMBL17465886 0.87 LRRK2 (0.77) DCLK1LRRK2TNK2MAPK7BRD4
SCHEMBL16065780 0.86 TNK2 (1.00) DCLK1LRRK2TNK2MAPK7
SCHEMBL10098753 0.86 PIK3CD (0.80) DCLK1LRRK2TNK2MAPK7BRD4

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 US disclosed
US-10793571-B2 Uses of diazepane derivatives DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-06 US disclosed
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-29 US disclosed
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-07 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-10570154-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-02-25 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-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE PETER MACCALLUM CANCER INSTITUTE (AU) 2019-06-27 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-20160122357-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2016-05-05 US disclosed
US-9266890-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-23 US disclosed
US-9266890-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-23 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-2015117083-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-08-06 WO disclosed
WO-2015117087-A1 USES OF DIAZEPANE DERIVATIVES DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-08-06 WO disclosed
WO-2014145909-A2 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-09-18 WO disclosed
US-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE (US) 2012-02-16 US disclosed
US-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE (US) 2012-02-16 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 (13 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 DCLK1 483/4885LRRK2 324/4885TNK2 53/4885
US-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, BRSK1, TAOK3 DCLK1 480/4885LRRK2 364/4885TNK2 85/4885
US-20190084998-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 DCLK1 483/4885LRRK2 324/4885TNK2 53/4885
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors CHUK, BCOR, MYC DCLK1 1082/4885LRRK2 1732/4885TNK2 352/4885
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 DCLK1 483/4885LRRK2 324/4885TNK2 53/4885
US-10189861-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 DCLK1 483/4885LRRK2 324/4885TNK2 53/4885
US-20160122357-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 DCLK1 453/4885LRRK2 340/4885TNK2 82/4885
US-10570154-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders BRSK2, STK3, BRSK1 DCLK1 453/4885LRRK2 340/4885TNK2 82/4885
US-10457692-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 DCLK1 483/4885LRRK2 324/4885TNK2 53/4885
US-20160024115-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 DCLK1 483/4885LRRK2 324/4885TNK2 53/4885
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE BRD4, BRD3, BRPF3 DCLK1 1875/4885LRRK2 1955/4885TNK2 1560/4885
US-10793571-B2 Uses of diazepane derivatives BRDT, BRD4, BRD3 DCLK1 3728/4885LRRK2 1196/4885TNK2 1738/4885
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC DCLK1 1082/4885LRRK2 1732/4885TNK2 352/4885

“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.