SCHEMBL25170990

SCHEMBL25170990

CCN1C(=O)OCc2cnc(NC(C)c3ccc([C@@H](CC4CC4)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc21

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 20/20 0.79
▸ IDH2 P48735 16/20 0.79

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
SCHEMBL20289761 1.00 IDH1 (0.79) IDH1IDH2
SCHEMBL23343408 1.00 IDH1 (0.79) IDH1IDH2
SCHEMBL22572279 1.00 IDH1 (0.79) IDH1IDH2
SCHEMBL24170404 0.97 IDH1 (0.75) IDH1IDH2
SCHEMBL30274578 0.93 IDH1 (0.77) IDH1IDH2
SCHEMBL22879073 0.93 IDH1 (0.77) IDH1IDH2
SCHEMBL31206531 0.93 IDH1 (0.77) IDH1IDH2
SCHEMBL23343378 0.92 IDH1 (0.77) IDH1IDH2
SCHEMBL30274604 0.92 IDH1 (0.77) IDH1IDH2
SCHEMBL25539274 0.91 IDH1 (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 1/4885

“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.

Send feedback