SCHEMBL21840495

SCHEMBL21840495

Cc1cc(-c2nc(C(=O)Nc3cc4c(cc3N3CCOCC3)OC(C)(C)C4)co2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 1.00

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
SCHEMBL23110458 0.92 IRAK4 (1.00) IRAK4
SCHEMBL23110647 0.91 IRAK4 (0.83) IRAK4
SCHEMBL23110503 0.90 IRAK4 (0.82) IRAK4
SCHEMBL23110648 0.89 IRAK4 (0.85) IRAK4
SCHEMBL21840546 0.84 IRAK4 (1.00) IRAK4
SCHEMBL23110720 0.84 IRAK4 (0.87) IRAK4
SCHEMBL21840512 0.84 IRAK4 (1.00) IRAK4
SCHEMBL23110497 0.84 IRAK4 (0.86) IRAK4
SCHEMBL23093910 0.83 IRAK4 (0.84) IRAK4
SCHEMBL30090075 0.83 IRAK4 (0.84) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3642199-B1 BENZOFURANS AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2022-04-27 — — EP disclosed
EP-3642199-B1 BENZOFURANS AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2022-04-27 — — EP disclosed
WO-2021047677-A1 IRAK4 KINASE INHIBITOR AND PREPARATION THEREOF AND USE THEREOF 中国科学院上海药物研究所 2021-03-18 — — WO disclosed
US-10899774-B2 IRAK4 modulators GENENTECH, INC. (US) 2021-01-26 — — US disclosed
US-20200115388-A1 IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-16 — — US disclosed
US-20200115388-A1 IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-16 — — 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-10899774-B2 IRAK4 modulators IRAK4, IRAK1, IRAK2 IRAK4 1/4885
US-20200115388-A1 IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 IRAK4 1/4885

“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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