SCHEMBL25302540

SCHEMBL25302540

O=C1N[C@H](COC(=O)N2CC(C#Cc3ccccc3C(F)F)C2)CO1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL27215987 0.96 — —
SCHEMBL25263787 0.73 RORC (0.42) —
SCHEMBL25252026 0.73 HDAC8 (0.31) —
SCHEMBL25292213 0.66 PARP10 (0.39) IRAK4
SCHEMBL21730877 0.66 MGLL (0.52) —
SCHEMBL32664208 0.66 MGLL (0.52) —
SCHEMBL2366102 0.64 PPM1B (0.46) IRAK4
SCHEMBL9453170 0.64 PPM1B (0.46) IRAK4
SCHEMBL2366108 0.64 PPM1B (0.46) IRAK4
SCHEMBL25291835 0.64 MGLL (0.43) IRAK4

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
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US claimed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP claimed
CN-115989228-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-04-18 — — CN claimed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 — — US claimed
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP disclosed
CN-115989228-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-04-18 — — CN disclosed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 — — 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-20220098176-A1 HETEROCYCLIC COMPOUNDS CBR3, BRIX1, CCNY IRAK4 3864/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY IRAK4 3864/4885

“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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