SCHEMBL19207593

SCHEMBL19207593

CC(C)(C)OC(=O)N[C@H]1COc2cccnc2NC1=O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
RIPK1 Q13546 12/20 0.53
EPHX2 P34913 1/20 0.44
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
AKT1 P31749 2/20 0.38

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
SCHEMBL29595441 1.00 GAA (0.54) GAARIPK1EPHX2NFKB1NFKB2
SCHEMBL19207591 1.00 GAA (0.54) GAARIPK1EPHX2NFKB1NFKB2
SCHEMBL8273799 0.83 EPHX2 (0.49) GAARIPK1EPHX2NFKB1NFKB2
SCHEMBL29619167 0.83 EPHX2 (0.49) GAARIPK1EPHX2NFKB1NFKB2
SCHEMBL3485743 0.83 GAA (0.57) GAARIPK1EPHX2
SCHEMBL1561665 0.83 GAA (0.57) GAARIPK1EPHX2
SCHEMBL1561667 0.83 GAA (0.57) GAARIPK1EPHX2
SCHEMBL23337499 0.83 GAA (0.45) GAARIPK1EPHX2
SCHEMBL23845808 0.83 GAA (0.45) GAARIPK1EPHX2
SCHEMBL23337548 0.83 GAA (0.45) GAARIPK1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043629-B2 RIP1K inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2024-07-23 US disclosed
EP-3781571-B1 N-[4-OXO-2,3-DIHYDRO-PYRIDO[3,2-B][1,4]OXAZEPIN-3-YL]-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOLE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RIP1 KINASE INHIBITORS FOR TREATING E.G. IRRITABLE BOWEL SYNDROME (IBS) HOFFMANN LA ROCHE (CH) 2024-01-17 EP disclosed
EP-3781571-B1 N-[4-OXO-2,3-DIHYDRO-PYRIDO[3,2-B][1,4]OXAZEPIN-3-YL]-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOLE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RIP1 KINASE INHIBITORS FOR TREATING E.G. IRRITABLE BOWEL SYNDROME (IBS) HOFFMANN LA ROCHE (CH) 2024-01-17 EP disclosed
US-20230227469-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. 2023-07-20 US disclosed
CN-115867548-A RIP1K inhibitors 里格尔药品股份有限公司 2023-03-28 CN disclosed
US-20230043400-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2023-02-09 US disclosed
WO-2021203011-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-10-07 WO disclosed
EP-3781571-A1 N-[4-OXO-2,3-DIHYDRO-1,5-BENZOXAZEPIN-3-YL]-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOL E-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RIP1 KINASE INHIBITORS FOR TREATING E.G. IRRITABLE BOWEL SYNDROME (IBS) F. Hoffmann-La Roche AG (CH) 2021-02-24 EP disclosed
US-20210032271-A1 PYRIDINE LACTAM COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-02-04 US disclosed
WO-2020239074-A1 BICYCLIC COMPOUND AS RIP-1 KINASE INHIBITOR AND APPLICATION THEREOF 南京明德新药研发有限公司 2020-12-03 WO disclosed
US-20190112318-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2019-04-18 US disclosed
US-20190112318-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2019-04-18 US disclosed
EP-3414239-A2 INHIBITORS OF RECEPTOR-INTERACTING PROTEIN KINASE 1 Denali Therapeutics Inc. (US) 2018-12-19 EP disclosed
US-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-04-12 US disclosed
US-9896458-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2018-02-20 US disclosed
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-01-25 US disclosed
US-9815850-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2017-11-14 US disclosed
WO-2017136727-A2 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2017-08-10 WO disclosed
WO-2017136727-A2 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2017-08-10 WO disclosed
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2017-08-10 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 (8 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-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB GAA 2016/4885RIPK1 416/4885EPHX2 1865/4885
US-12043629-B2 RIP1K inhibitors RIPK1, RIPK2, RIPK3 GAA 1283/4885RIPK1 1/4885EPHX2 3850/4885
US-20230043400-A1 Compounds, Compositions and Methods PIK3CA, PLK1, PIK3CB GAA 2016/4885RIPK1 416/4885EPHX2 1865/4885
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB GAA 2016/4885RIPK1 416/4885EPHX2 1865/4885
US-20210032271-A1 PYRIDINE LACTAM COMPOUNDS AND METHODS OF USE THEREOF RB1, RBX1, RPSA GAA 2107/4885RIPK1 1875/4885EPHX2 2811/4885
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB GAA 2016/4885RIPK1 416/4885EPHX2 1865/4885
US-20230227469-A1 RIP1K INHIBITORS RIPK1, RIPK2, RIPK3 GAA 1283/4885RIPK1 1/4885EPHX2 3850/4885
US-20190112318-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB GAA 2016/4885RIPK1 416/4885EPHX2 1865/4885

“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.