SCHEMBL21378441

SCHEMBL21378441

C[C@H](Nc1nc(F)cc(F)n1)c1ccc(C(CC2CC2)N2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 15/20 0.60
▸ IDH2 P48735 4/20 0.49
▸ TPH1 P17752 1/20 0.41
▸ SCN5A Q14524 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ ADORA2A P29274 3/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2B P29275 1/20 0.38

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
SCHEMBL21378443 1.00 IDH1 (0.60) IDH1IDH2TPH1SCN5ASCN9A
SCHEMBL21378349 0.88 IDH1 (0.47) IDH1IDH2
SCHEMBL21378348 0.88 IDH1 (0.47) IDH1IDH2
SCHEMBL21378439 0.87 IDH1 (0.56) IDH1IDH2ADORA2AADORA2B
SCHEMBL19700702 0.87 IDH1 (0.56) IDH1IDH2ADORA2AADORA2B
SCHEMBL21378370 0.85 IDH1 (0.85) IDH1IDH2
SCHEMBL21378371 0.85 IDH1 (0.85) IDH1IDH2
SCHEMBL21378456 0.79 IDH1 (0.58) IDH1IDH2
SCHEMBL21378455 0.79 IDH1 (0.58) IDH1IDH2
SCHEMBL20270979 0.77 ACACB (0.47) 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 4/4885TPH1 4399/4885
US-20190292175-A1 MUTANT IDH1 INHIBITORS IDH1, IDH3B, IDH3A IDH1 1/4885IDH2 4/4885TPH1 4399/4885

“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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