SCHEMBL27242853

SCHEMBL27242853

CNc1c(C(N)=O)cnc2ccc(-c3cn[nH]c3)cc12

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.56
▸ MELK Q14680 2/20 0.56
▸ ATM Q13315 14/20 0.49
▸ KCNH2 Q12809 12/20 0.49
▸ ATR Q13535 7/20 0.49
▸ ACVR1 Q04771 1/20 0.48
▸ KDR P35968 1/20 0.47
▸ MTOR P42345 2/20 0.45
▸ PIK3CA P42336 1/20 0.45
▸ PIK3CB P42338 1/20 0.45
▸ PIK3CG P48736 1/20 0.45
▸ PRKDC P78527 1/20 0.45

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
SCHEMBL27242913 0.88 LRRK2 (0.70) LRRK2MELKATMKCNH2ATR
SCHEMBL22963983 0.82 KCNH2 (0.49) LRRK2MELKATMKCNH2ATR
SCHEMBL31013141 0.82 KCNH2 (0.49) LRRK2MELKATMKCNH2ATR
SCHEMBL29725446 0.82 MELK (0.65) LRRK2MELKATMKCNH2ATR
SCHEMBL15215124 0.77 CSF1R (0.51) ATMKCNH2ATRKDRMTOR
SCHEMBL22963991 0.77 LRRK2 (0.62) LRRK2MELKATMATRACVR1
SCHEMBL31013172 0.77 LRRK2 (0.62) LRRK2MELKATMATRACVR1
SCHEMBL22963947 0.77 CD38 (0.64) LRRK2ATMKCNH2ATRMTOR
SCHEMBL31013167 0.77 CD38 (0.64) LRRK2ATMKCNH2ATRMTOR
Hydrochloric Acid SCHEMBL27242947 0.76 LRRK2 (0.61) LRRK2MELKATMATRACVR1

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 11 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
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.

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