SCHEMBL22964204

SCHEMBL22964204

CCNc1c(C(=O)NCCC(C)(C)O)cnc2ccc(-c3cncs3)cc12

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 10/20 0.50
▸ IRAK4 Q9NWZ3 3/20 0.42
▸ LRRK2 Q5S007 1/20 0.41
▸ KCNH2 Q12809 5/20 0.40
▸ ATM Q13315 5/20 0.40
▸ ATR Q13535 2/20 0.40

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
SCHEMBL29725408 1.00 CD38 (0.50) CD38IRAK4LRRK2KCNH2ATM
SCHEMBL22964093 0.85 IRAK4 (0.52) CD38IRAK4
SCHEMBL29725381 0.85 IRAK4 (0.52) CD38IRAK4
SCHEMBL28731609 0.85 IRAK4 (0.52) CD38IRAK4
SCHEMBL22964202 0.84 CD38 (0.46) CD38IRAK4KCNH2ATMATR
SCHEMBL29725384 0.84 CD38 (0.46) CD38IRAK4KCNH2ATMATR
SCHEMBL22964200 0.83 MELK (0.47) IRAK4LRRK2KCNH2ATMATR
SCHEMBL29725421 0.83 MELK (0.47) IRAK4LRRK2KCNH2ATMATR
SCHEMBL22963959 0.76 IRAK4 (0.51) IRAK4
SCHEMBL29725477 0.76 IRAK4 (0.51) 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
US-12492186-B2 Bicyclic heterocyclic compounds useful as IRAK4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-12-09 — — US claimed
CN-114174279-B Bicyclic heterocyclic compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2024-07-02 — — CN claimed
CN-114174279-A Bicyclic heterocyclic compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2022-03-11 — — CN claimed
CN-114174279-B Bicyclic heterocyclic compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2024-07-02 — — CN disclosed
CN-114174279-A Bicyclic heterocyclic compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2022-03-11 — — CN disclosed
WO-2021026181-A1 BICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-11 — — WO 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-12492186-B2 Bicyclic heterocyclic compounds useful as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 CD38 965/4885IRAK4 1/4885LRRK2 1015/4885

“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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