SCHEMBL10098753

SCHEMBL10098753

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

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.80
PIK3CG P48736 10/20 0.80
PIK3C2G O75747 9/20 0.80
DCLK1 O15075 8/20 0.75
LRRK2 Q5S007 7/20 0.75
AURKA O14965 6/20 0.69
AURKB Q96GD4 6/20 0.69
BRD4 O60885 2/20 0.69
PIK3CA P42336 1/20 0.69
PIK3CB P42338 1/20 0.69
MAPK7 Q13164 6/20 0.68
TNK2 Q07912 2/20 0.57
PLK4 O00444 1/20 0.56
PI4KA P42356 1/20 0.56
RPS6KA3 P51812 1/20 0.56
PTK2 Q05397 1/20 0.56
TNK1 Q13470 1/20 0.56
RPS6KA2 Q15349 1/20 0.56
RPS6KA1 Q15418 1/20 0.56
BRDT Q58F21 1/20 0.56

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
SCHEMBL17721090 0.92 PIK3CD (0.69) PIK3CDPIK3CGPIK3C2GDCLK1LRRK2
SCHEMBL20628384 0.90 PIK3CD (0.67) PIK3CDPIK3CGPIK3C2GDCLK1LRRK2
SCHEMBL10098749 0.89 PIK3CD (0.79) PIK3CDPIK3CGPIK3C2GDCLK1LRRK2
SCHEMBL19457385 0.89 PIK3CD (1.00) PIK3CDPIK3CGPIK3C2GDCLK1LRRK2
SCHEMBL16065860 0.87 TNK2 (0.76) PIK3CDPIK3CGPIK3C2GDCLK1LRRK2
SCHEMBL10098752 0.86 DCLK1 (1.00) PIK3CDPIK3CGPIK3C2GDCLK1LRRK2
SCHEMBL30797848 0.86 DCLK1 (1.00) PIK3CDPIK3CGPIK3C2GDCLK1LRRK2
SCHEMBL20628478 0.85 STK3 (0.71) PIK3CDPIK3CGPIK3C2GDCLK1LRRK2
SCHEMBL18371573 0.82 PIK3CG (0.83) PIK3CDPIK3CGPIK3C2GDCLK1LRRK2
SCHEMBL20628267 0.82 PIK3CD (0.73) PIK3CDPIK3CGPIK3C2GDCLK1LRRK2

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 31 patents — showing the first 20. 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-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-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-9464091-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-11 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-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-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 (12 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 PIK3CD 412/4885PIK3CG 508/4885PIK3C2G 917/4885
US-20120040961-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, BRSK1, TAOK3 PIK3CD 342/4885PIK3CG 442/4885PIK3C2G 613/4885
US-20190084998-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 PIK3CD 412/4885PIK3CG 508/4885PIK3C2G 917/4885
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 PIK3CD 412/4885PIK3CG 508/4885PIK3C2G 917/4885
US-10189861-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 PIK3CD 412/4885PIK3CG 508/4885PIK3C2G 917/4885
US-10975092-B2 Pyrimidine seven-membered-ring compounds, preparation method therefor, pharmaceutical composition thereof, and uses thereof MST1, STK11, MSTN PIK3CD 309/4885PIK3CG 551/4885PIK3C2G 1027/4885
US-20160122357-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 PIK3CD 411/4885PIK3CG 493/4885PIK3C2G 689/4885
US-10570154-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders BRSK2, STK3, BRSK1 PIK3CD 411/4885PIK3CG 493/4885PIK3C2G 689/4885
US-10457692-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 PIK3CD 412/4885PIK3CG 508/4885PIK3C2G 917/4885
US-20160024115-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 PIK3CD 412/4885PIK3CG 508/4885PIK3C2G 917/4885
US-20200115386-A1 PYRIMIDINE SEVEN-MEMBERED-RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF MST1, STK11, MSTN PIK3CD 309/4885PIK3CG 551/4885PIK3C2G 1027/4885
US-20220280530-A1 PREVENTION OR TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE MST1, MSTN, MST1R PIK3CD 2015/4885PIK3CG 2586/4885PIK3C2G 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.