SCHEMBL17469567

SCHEMBL17469567

CN1C(=O)c2ccccc2N(C)c2nc(Nc3ccc(NS(C)(=O)=O)cc3)ncc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DCLK1 O15075 7/20 1.00
▸ LRRK2 Q5S007 8/20 0.76
▸ PIK3CD O00329 7/20 0.76
▸ PIK3C2G O75747 7/20 0.76
▸ PIK3CG P48736 7/20 0.76
▸ AURKA O14965 5/20 0.76
▸ AURKB Q96GD4 5/20 0.76
▸ MAPK7 Q13164 5/20 0.76
▸ BRD4 O60885 4/20 0.73
▸ NUAK1 O60285 2/20 0.57
▸ STK3 Q13188 1/20 0.55
▸ BRDT Q58F21 1/20 0.53

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
SCHEMBL18371573 0.89 PIK3CG (0.83) DCLK1LRRK2PIK3CDPIK3C2GPIK3CG
SCHEMBL20628568 0.89 DCLK1 (0.80) DCLK1LRRK2PIK3CDPIK3C2GPIK3CG
SCHEMBL20628481 0.89 DCLK1 (0.80) DCLK1LRRK2PIK3CDPIK3C2GPIK3CG
SCHEMBL20094144 0.89 DCLK1 (0.80) DCLK1LRRK2PIK3CDPIK3C2GPIK3CG
SCHEMBL17519893 0.88 DCLK1 (0.78) DCLK1LRRK2PIK3CDPIK3C2GPIK3CG
SCHEMBL10098763 0.86 PIK3CG (1.00) DCLK1LRRK2PIK3CDPIK3C2GPIK3CG
SCHEMBL22663711 0.85 PIK3CG (0.80) DCLK1LRRK2PIK3CDPIK3C2GPIK3CG
SCHEMBL20094404 0.85 LRRK2 (1.00) DCLK1LRRK2PIK3CDPIK3C2GPIK3CG
SCHEMBL20628558 0.85 DCLK1 (0.73) DCLK1LRRK2PIK3CDPIK3C2GPIK3CG
SCHEMBL20628559 0.84 DCLK1 (0.72) DCLK1LRRK2PIK3CDPIK3C2GPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220280530-A1 PREVENTION OR TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE Anhui Newstar Pharmaceutical Development Co., Ltd. (CN) 2022-09-08 — — US disclosed
US-10975092-B2 Pyrimidine seven-membered-ring compounds, preparation method therefor, pharmaceutical composition thereof, and uses thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2021-04-13 — — US disclosed
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-20200115386-A1 PYRIMIDINE SEVEN-MEMBERED-RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF Anhui New Star Pharmaceutical Development Co., Ltd . (CN) 2020-04-16 — — 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
EP-3424929-A1 PYRIMIDINE SEVEN-MEMBERED-RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF Anhui New Star Pharmaceutical Development Co., Ltd (CN) 2019-01-09 — — EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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 324/4885PIK3CD 412/4885
US-20190084998-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 DCLK1 483/4885LRRK2 324/4885PIK3CD 412/4885
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 DCLK1 483/4885LRRK2 324/4885PIK3CD 412/4885
US-10189861-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 DCLK1 483/4885LRRK2 324/4885PIK3CD 412/4885
US-20170283422-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 DCLK1 483/4885LRRK2 324/4885PIK3CD 412/4885
US-10975092-B2 Pyrimidine seven-membered-ring compounds, preparation method therefor, pharmaceutical composition thereof, and uses thereof MST1, STK11, MSTN DCLK1 796/4885LRRK2 143/4885PIK3CD 309/4885
US-10457692-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 DCLK1 483/4885LRRK2 324/4885PIK3CD 412/4885
US-20160024115-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 DCLK1 483/4885LRRK2 324/4885PIK3CD 412/4885
US-20200115386-A1 PYRIMIDINE SEVEN-MEMBERED-RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF MST1, STK11, MSTN DCLK1 796/4885LRRK2 143/4885PIK3CD 309/4885
US-20220280530-A1 PREVENTION OR TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE MST1, MSTN, MST1R DCLK1 1387/4885LRRK2 329/4885PIK3CD 2015/4885

“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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