SCHEMBL19207729

SCHEMBL19207729

C[C@H]1Oc2cccnc2NC(=O)[C@H]1NC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 15/20 0.64
NPC1 O15118 1/20 0.44
GSK3B P49841 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL19228506 0.83 RIPK1 (0.53) RIPK1NPC1GSK3BMEN1KMT2A
SCHEMBL31249665 0.83 RIPK1 (0.53) RIPK1NPC1GSK3BMEN1KMT2A
SCHEMBL29415677 0.83 RIPK1 (0.53) RIPK1NPC1GSK3BMEN1KMT2A
SCHEMBL19228402 0.83 RIPK1 (0.53) RIPK1NPC1GSK3BMEN1KMT2A
SCHEMBL19207863 0.81 RIPK1 (0.72) RIPK1
SCHEMBL19255778 0.81 RIPK1 (0.72) RIPK1
SCHEMBL19207459 0.81 RIPK1 (0.72) RIPK1
SCHEMBL29415720 0.81 RIPK1 (0.72) RIPK1
SCHEMBL15564765 0.80 PARP1 (0.55) RIPK1MEN1KMT2A
SCHEMBL15564861 0.80 PARP1 (0.55) RIPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20230043400-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2023-02-09 US 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-20200317691-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2020-10-08 US disclosed
WO-2019204537-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) GENENTECH, INC. (US) 2019-10-24 WO 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
WO-2017136727-A2 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2017-08-10 WO 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 (3 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-20200317691-A1 Compounds, Compositions and Methods PIK3CA, PLK1, PIK3CB RIPK1 416/4885NPC1 1287/4885GSK3B 101/4885
US-20230043400-A1 Compounds, Compositions and Methods PIK3CA, PLK1, PIK3CB RIPK1 416/4885NPC1 1287/4885GSK3B 101/4885
US-20190112318-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB RIPK1 416/4885NPC1 1287/4885GSK3B 101/4885

“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.