SCHEMBL29725367

SCHEMBL29725367

CC(C)Nc1c(C(=O)NC2CC(O)C2)cnc2ccc(-c3cn[nH]c3)cc12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.53
▸ MELK Q14680 3/20 0.51
▸ MAP4K4 O95819 1/20 0.42
▸ ROCK2 O75116 5/20 0.42
▸ ROCK1 Q13464 2/20 0.42
▸ GSK3B P49841 2/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ IRAK4 Q9NWZ3 2/20 0.41
▸ ACVR1 Q04771 1/20 0.39

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
SCHEMBL28731618 1.00 LRRK2 (0.53) LRRK2MELKMAP4K4ROCK2ROCK1
SCHEMBL28731759 1.00 LRRK2 (0.53) LRRK2MELKMAP4K4ROCK2ROCK1
SCHEMBL27242871 1.00 LRRK2 (0.53) LRRK2MELKMAP4K4ROCK2ROCK1
SCHEMBL27242887 0.92 MELK (0.54) LRRK2MELKROCK2ROCK1GSK3B
SCHEMBL22964081 0.92 LRRK2 (0.52) LRRK2MELKROCK2ROCK1GSK3B
SCHEMBL27242868 0.92 LRRK2 (0.52) LRRK2MELKROCK2ROCK1GSK3B
SCHEMBL29725409 0.92 LRRK2 (0.52) LRRK2MELKROCK2ROCK1GSK3B
SCHEMBL22964053 0.92 MELK (0.54) LRRK2MELKROCK2ROCK1GSK3B
SCHEMBL29725427 0.92 MELK (0.54) LRRK2MELKROCK2ROCK1GSK3B
SCHEMBL27242873 0.92 LRRK2 (0.52) LRRK2MELKROCK2ROCK1GSK3B

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
US-20220281844-A1 BICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-09-08 — — US claimed
EP-4010317-A1 BICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS IRAK4 INHIBITORS Bristol-Myers Squibb Company (US) 2022-06-15 — — EP claimed
US-12492186-B2 Bicyclic heterocyclic compounds useful as IRAK4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-12-09 — — US disclosed
US-20220281844-A1 BICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-09-08 — — US disclosed
EP-4010317-A1 BICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS IRAK4 INHIBITORS Bristol-Myers Squibb Company (US) 2022-06-15 — — EP 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 LRRK2 1015/4885MELK 1357/4885MAP4K4 185/4885
US-20220281844-A1 BICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 LRRK2 1015/4885MELK 1357/4885MAP4K4 185/4885

“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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