SCHEMBL21378403

SCHEMBL21378403

C=CC(=O)N1CCN(Cc2ccc(C(C)Nc3nc(F)cc(N4C(=O)OCC4(C)C)n3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 20/20 1.00
▸ IDH2 P48735 3/20 0.55

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
SCHEMBL19700782 1.00 IDH1 (1.00) IDH1IDH2
SCHEMBL21378487 0.92 IDH1 (0.84) IDH1
SCHEMBL21378489 0.92 IDH1 (0.84) IDH1
SCHEMBL22201588 0.88 IDH1 (0.79) IDH1IDH2
SCHEMBL19701260 0.88 IDH1 (1.00) IDH1IDH2
SCHEMBL21378582 0.88 IDH1 (1.00) IDH1IDH2
SCHEMBL19700763 0.87 IDH1 (0.78) IDH1
SCHEMBL19692697 0.86 IDH1 (0.76) IDH1IDH2
SCHEMBL19700776 0.86 IDH1 (0.75) IDH1
SCHEMBL21378615 0.86 IDH1 (0.75) IDH1

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
CN-109311863-B Mutant IDH1 inhibitors 伊莱利利公司 2021-10-29 — — CN claimed
EP-3464281-B1 MUTANT IDH1 INHIBITORS LILLY CO ELI (US) 2020-07-08 — — EP claimed
US-10696665-B2 Mutant IDH1 inhibitors ELI LILLY AND COMPANY (US) 2020-06-30 — — US claimed
US-20190292175-A1 MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY 2019-09-26 — — US claimed
CN-109311863-B Mutant IDH1 inhibitors 伊莱利利公司 2021-10-29 — — CN disclosed
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.

Send feedback