SCHEMBL29765335

SCHEMBL29765335

C[C@H](Nc1cc2c(cn1)COC(=O)N2C)c1ccc(C(CC2CC2)N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 19/20 0.78
▸ IDH2 P48735 14/20 0.58
▸ TBK1 Q9UHD2 1/20 0.36

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
SCHEMBL20289358 1.00 IDH1 (0.78) IDH1IDH2TBK1
SCHEMBL22572276 1.00 IDH1 (0.78) IDH1IDH2TBK1
SCHEMBL20289356 0.90 IDH1 (0.63) IDH1IDH2
SCHEMBL23343374 0.90 IDH1 (0.84) IDH1IDH2
SCHEMBL20270245 0.90 IDH1 (0.84) IDH1IDH2
SCHEMBL20270243 0.90 IDH1 (0.84) IDH1IDH2
SCHEMBL21799134 0.87 IDH1 (1.00) IDH1IDH2
SCHEMBL20289765 0.87 IDH1 (1.00) IDH1IDH2
SCHEMBL30274604 0.86 IDH1 (0.77) IDH1IDH2
SCHEMBL23343378 0.86 IDH1 (0.77) IDH1IDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115109075-B Mutant IDH1 and IDH2 inhibitors 伊莱利利公司 2024-09-20 — — CN disclosed
US-11649247-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors ELI LILLY AND COMPANY (US) 2023-05-16 — — US disclosed
US-11629156-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors ELI LILLY AND COMPANY (US) 2023-04-18 — — US disclosed
EP-3763717-B1 PYRIDO[4,3-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS LILLY CO ELI (US) 2023-03-08 — — EP disclosed
CN-110072867-B 7-phenylethylamino-4H-pyrimido [4,5-D ] [1,3] oxazin-2-one compounds as inhibitors of mutant IDH1 and IDH2 伊莱利利公司 2022-07-08 — — CN 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 (2 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-11649247-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors IDH2, IDH1, IDH3B IDH1 2/4885IDH2 1/4885TBK1 2794/4885
US-11629156-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors IDH2, IDH1, IDH3B IDH1 2/4885IDH2 1/4885TBK1 2794/4885

“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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