SCHEMBL22964207

SCHEMBL22964207

CC(C)(O)CCNC(=O)c1cnc2ccc(-c3cn[nH]c3)cc2c1NC1COC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 12/20 0.55
▸ IRAK4 Q9NWZ3 4/20 0.46
▸ GSK3B P49841 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ ATR Q13535 1/20 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
SCHEMBL29725386 1.00 MELK (0.55) MELKIRAK4GSK3BDYRK1AROCK2
SCHEMBL22964171 0.89 MELK (0.53) MELKIRAK4GSK3BDYRK1A
SCHEMBL29725490 0.89 MELK (0.53) MELKIRAK4GSK3BDYRK1A
SCHEMBL29725574 0.86 MELK (0.53) MELKIRAK4
SCHEMBL22963960 0.86 MELK (0.53) MELKIRAK4
SCHEMBL27242911 0.86 MELK (0.53) MELKIRAK4
SCHEMBL22964200 0.85 MELK (0.47) MELKIRAK4GSK3BDYRK1AROCK2
SCHEMBL29725421 0.85 MELK (0.47) MELKIRAK4GSK3BDYRK1AROCK2
SCHEMBL22964202 0.84 CD38 (0.46) MELKIRAK4KCNH2ATMATR
SCHEMBL29725384 0.84 CD38 (0.46) MELKIRAK4KCNH2ATMATR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174279-B Bicyclic heterocyclic compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2024-07-02 — — CN claimed
EP-4010317-B1 BICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-06-19 — — EP claimed
US-20220281844-A1 BICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-09-08 — — US claimed
CN-114174279-A Bicyclic heterocyclic compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2022-03-11 — — CN claimed
US-12492186-B2 Bicyclic heterocyclic compounds useful as IRAK4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-12-09 — — US disclosed
CN-114174279-B Bicyclic heterocyclic compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2024-07-02 — — CN disclosed
EP-4010317-B1 BICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-06-19 — — EP disclosed
US-20220281844-A1 BICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-09-08 — — US 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 (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-12492186-B2 Bicyclic heterocyclic compounds useful as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 MELK 1357/4885IRAK4 1/4885GSK3B 657/4885
US-20220281844-A1 BICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 MELK 1357/4885IRAK4 1/4885GSK3B 657/4885

“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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