SCHEMBL17465864

SCHEMBL17465864

CN1C(=O)c2ccccc2N(C)c2nc(Nc3cccc(S(N)(=O)=O)c3)ncc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 12/20 1.00
▸ PIK3CD O00329 11/20 1.00
▸ PIK3C2G O75747 11/20 1.00
▸ AURKA O14965 11/20 1.00
▸ AURKB Q96GD4 11/20 1.00
▸ DCLK1 O15075 7/20 1.00
▸ LRRK2 Q5S007 4/20 1.00
▸ MAPK7 Q13164 3/20 0.80
▸ BRD4 O60885 5/20 0.57
▸ PIK3CA P42336 5/20 0.57
▸ PIK3CB P42338 3/20 0.57
▸ BRDT Q58F21 1/20 0.56
▸ TYK2 P29597 2/20 0.55
▸ STK3 Q13188 2/20 0.55
▸ TAOK1 Q7L7X3 2/20 0.55
▸ PIP5K1C O60331 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ JAK1 P23458 1/20 0.55
▸ RIPK4 P57078 1/20 0.55
▸ STK4 Q13043 1/20 0.55

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
SCHEMBL20628428 0.90 PIK3CG (0.81) PIK3CGPIK3CDPIK3C2GAURKAAURKB
SCHEMBL20628275 0.90 PIK3CD (0.81) PIK3CGPIK3CDPIK3C2GAURKAAURKB
SCHEMBL19457412 0.90 PIK3CD (1.00) PIK3CGPIK3CDPIK3C2GAURKAAURKB
SCHEMBL10098763 0.89 PIK3CG (1.00) PIK3CGPIK3CDPIK3C2GAURKAAURKB
SCHEMBL21938543 0.87 PIK3CD (0.76) PIK3CGPIK3CDPIK3C2GAURKAAURKB
SCHEMBL20628387 0.86 PIK3CD (0.75) PIK3CGPIK3CDPIK3C2GAURKAAURKB
SCHEMBL20628545 0.85 PIK3CG (0.74) PIK3CGPIK3CDPIK3C2GAURKAAURKB
SCHEMBL10098754 0.85 PIK3CG (1.00) PIK3CGPIK3CDPIK3C2GAURKAAURKB
SCHEMBL17519893 0.84 DCLK1 (0.78) PIK3CGPIK3CDPIK3C2GAURKAAURKB
SCHEMBL20628572 0.84 PIK3CG (0.79) PIK3CGPIK3CDPIK3C2GAURKAAURKB

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 15 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
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-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

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 PIK3CG 508/4885PIK3CD 412/4885PIK3C2G 917/4885
US-20190084998-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 PIK3CG 508/4885PIK3CD 412/4885PIK3C2G 917/4885
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 PIK3CG 508/4885PIK3CD 412/4885PIK3C2G 917/4885
US-10189861-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 PIK3CG 508/4885PIK3CD 412/4885PIK3C2G 917/4885
US-20170283422-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 PIK3CG 508/4885PIK3CD 412/4885PIK3C2G 917/4885
US-10975092-B2 Pyrimidine seven-membered-ring compounds, preparation method therefor, pharmaceutical composition thereof, and uses thereof MST1, STK11, MSTN PIK3CG 551/4885PIK3CD 309/4885PIK3C2G 1027/4885
US-10457692-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 PIK3CG 508/4885PIK3CD 412/4885PIK3C2G 917/4885
US-20160024115-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 PIK3CG 508/4885PIK3CD 412/4885PIK3C2G 917/4885
US-20200115386-A1 PYRIMIDINE SEVEN-MEMBERED-RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF MST1, STK11, MSTN PIK3CG 551/4885PIK3CD 309/4885PIK3C2G 1027/4885
US-20220280530-A1 PREVENTION OR TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE MST1, MSTN, MST1R PIK3CG 2586/4885PIK3CD 2015/4885PIK3C2G 3871/4885

“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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