SCHEMBL26969382

SCHEMBL26969382

CN1CC[C@@](O)(c2cccc(-c3csc(-n4ccc5ncccc54)n3)c2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 8/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RPS6KA5 O75582 1/20 0.32
▸ RPS6KA3 P51812 1/20 0.32
▸ SPR P35270 1/20 0.32

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
SCHEMBL29604716 1.00 MAP3K14 (0.40) MAP3K14SMN1; SMN2RAB9ANPC1OPRM1
SCHEMBL29605779 1.00 MAP3K14 (0.40) MAP3K14SMN1; SMN2RAB9ANPC1OPRM1
SCHEMBL29605401 0.87 MAP3K14 (0.41) MAP3K14SMN1; SMN2RAB9ANPC1OPRM1
SCHEMBL29605217 0.78 MAP3K14 (0.50) MAP3K14SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL29604666 0.78 MAP3K14 (0.48) MAP3K14SMN1; SMN2RAB9ALMNAMAPT
SCHEMBL29605715 0.75 CDK1 (0.45) MAP3K14
SCHEMBL26969451 0.75 CDK1 (0.45) MAP3K14
SCHEMBL29605188 0.75 CDK1 (0.45) MAP3K14
SCHEMBL29604849 0.74 MAP3K14 (0.39) MAP3K14RAB9AMAPT
SCHEMBL26969483 0.74 MAP3K14 (0.39) MAP3K14RAB9AMAPT

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-20230416256-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARAMCEUTICA NV (BE) 2023-12-28 — — 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-20230416256-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, NFRKB MAP3K14 28/4885SMN1; SMN2 4654/4885RAB9A 3077/4885

“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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