SCHEMBL22964272

SCHEMBL22964272

CC(O)CCNC(=O)c1cnc2ccc(-c3cn[nH]c3)nc2c1NC(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 3/20 0.47
▸ DYRK1A Q13627 9/20 0.43
▸ MAPK8 P45983 1/20 0.41
▸ IRAK4 Q9NWZ3 2/20 0.41
▸ LRRK2 Q5S007 3/20 0.40
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ GSK3B P49841 1/20 0.35

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
SCHEMBL29725419 1.00 MELK (0.47) MELKDYRK1AMAPK8IRAK4LRRK2
SCHEMBL29725390 0.94 DYRK1A (0.49) MELKDYRK1AMAPK8IRAK4LRRK2
SCHEMBL22964274 0.94 DYRK1A (0.49) MELKDYRK1AMAPK8IRAK4LRRK2
SCHEMBL22964152 0.88 MELK (0.46) MELKDYRK1AMAPK8IRAK4LRRK2
SCHEMBL29725379 0.88 MELK (0.46) MELKDYRK1AMAPK8IRAK4LRRK2
SCHEMBL22964270 0.88 MELK (0.46) MELKDYRK1AMAPK8IRAK4LRRK2
SCHEMBL29725452 0.88 MELK (0.46) MELKDYRK1AMAPK8IRAK4LRRK2
SCHEMBL22964176 0.87 MELK (0.55) MELKDYRK1AIRAK4PIK3CAMTOR
SCHEMBL22964190 0.87 MELK (0.45) MELKDYRK1AMAPK8IRAK4LRRK2
SCHEMBL29725431 0.87 MELK (0.55) MELKDYRK1AIRAK4PIK3CAMTOR

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
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
EP-4010317-B1 BICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-06-19 — — EP 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 1357/4885DYRK1A 1475/4885MAPK8 491/4885
US-20220281844-A1 BICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 MELK 1357/4885DYRK1A 1475/4885MAPK8 491/4885

“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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