SCHEMBL27242913

SCHEMBL27242913

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

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 5/20 0.70
▸ MELK Q14680 2/20 0.53
▸ ATM Q13315 13/20 0.52
▸ ATR Q13535 6/20 0.52
▸ PIK3CA P42336 2/20 0.52
▸ MTOR P42345 2/20 0.52
▸ PRKDC P78527 2/20 0.52
▸ PIK3CB P42338 1/20 0.52
▸ PIK3CG P48736 1/20 0.52
▸ KCNH2 Q12809 12/20 0.49
▸ KDR P35968 1/20 0.47

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
SCHEMBL22963991 0.90 LRRK2 (0.62) LRRK2MELKATMATRPIK3CA
SCHEMBL31013172 0.90 LRRK2 (0.62) LRRK2MELKATMATRPIK3CA
Hydrochloric Acid SCHEMBL27242947 0.89 LRRK2 (0.61) LRRK2MELKATMATRPIK3CA
SCHEMBL27242853 0.88 LRRK2 (0.56) LRRK2MELKATMATRPIK3CA
SCHEMBL31013184 0.85 LRRK2 (0.57) LRRK2MELK
SCHEMBL27242945 0.85 LRRK2 (0.57) LRRK2MELK
SCHEMBL29725496 0.84 LRRK2 (0.53) LRRK2ATMATRPIK3CAMTOR
SCHEMBL22964213 0.83 LRRK2 (0.55) LRRK2MELK
SCHEMBL29725417 0.83 LRRK2 (0.55) LRRK2MELK
SCHEMBL22964216 0.83 LRRK2 (0.55) LRRK2MELKATMPIK3CAMTOR

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 12 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
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
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
EP-4010317-A1 BICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS IRAK4 INHIBITORS Bristol-Myers Squibb Company (US) 2022-06-15 — — EP disclosed
CN-114174279-A Bicyclic heterocyclic compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2022-03-11 — — CN 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 1357/4885ATM 701/4885
US-20220281844-A1 BICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 LRRK2 1015/4885MELK 1357/4885ATM 701/4885

“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.

Send feedback