SCHEMBL21378520

SCHEMBL21378520

CCC(c1ccc([C@H](C)Nc2nc(N)cc(N3C(=O)OCC3(C)C)n2)cc1)N1CCN(C(=O)O)CC1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 20/20 0.84
▸ IDH2 P48735 2/20 0.44

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
SCHEMBL21378525 1.00 IDH1 (0.84) IDH1IDH2
SCHEMBL19692693 0.92 IDH1 (1.00) IDH1IDH2
SCHEMBL19692695 0.92 IDH1 (1.00) IDH1IDH2
SCHEMBL21378515 0.90 IDH1 (0.78) IDH1IDH2
SCHEMBL19701039 0.90 IDH1 (0.78) IDH1IDH2
SCHEMBL21378390 0.89 IDH1 (0.76) IDH1
SCHEMBL19701052 0.89 IDH1 (0.76) IDH1
SCHEMBL21378371 0.82 IDH1 (0.85) IDH1IDH2
SCHEMBL21378370 0.82 IDH1 (0.85) IDH1IDH2
SCHEMBL19701075 0.82 IDH1 (0.82) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464281-B1 MUTANT IDH1 INHIBITORS LILLY CO ELI (US) 2020-07-08 — — EP disclosed
US-10696665-B2 Mutant IDH1 inhibitors ELI LILLY AND COMPANY (US) 2020-06-30 — — US disclosed
US-20190292175-A1 MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY 2019-09-26 — — 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 (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-10696665-B2 Mutant IDH1 inhibitors IDH1, IDH3B, IDH3A IDH1 1/4885IDH2 4/4885
US-20190292175-A1 MUTANT IDH1 INHIBITORS IDH1, IDH3B, IDH3A IDH1 1/4885IDH2 4/4885

“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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