SCHEMBL26516639

SCHEMBL26516639

CC(C)N1CCN(c2ccc(-c3cnc4cc(-c5cccc(S(C)(=O)=O)c5)n(C)c4c3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 2/20 0.50
▸ FYN P06241 4/20 0.42
▸ PTK2 Q05397 5/20 0.42
▸ JAK2 O60674 4/20 0.42
▸ JAK3 P52333 4/20 0.42
▸ MAP4K1 Q92918 2/20 0.41
▸ PIK3CB P42338 2/20 0.40
▸ MTOR P42345 1/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ ATR Q13535 1/20 0.40
▸ ATRIP Q8WXE1 1/20 0.40
▸ AURKA O14965 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3R1 P27986 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CG P48736 1/20 0.37

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
SCHEMBL30360624 1.00 ACVR1 (0.50) ACVR1FYNPTK2JAK2JAK3
SCHEMBL30360601 0.91 MAP4K1 (0.47) ACVR1FYNPTK2JAK2JAK3
SCHEMBL26516557 0.91 MAP4K1 (0.47) ACVR1FYNPTK2JAK2JAK3
SCHEMBL30360605 0.90 ACVR1 (0.41) ACVR1FYNPTK2JAK2JAK3
SCHEMBL26516729 0.90 ACVR1 (0.41) ACVR1FYNPTK2JAK2JAK3
SCHEMBL26516732 0.85 MAP4K1 (0.41) ACVR1FYNPTK2JAK2JAK3
SCHEMBL30360607 0.85 MAP4K1 (0.41) ACVR1FYNPTK2JAK2JAK3
SCHEMBL26516919 0.81 FYN (0.43) ACVR1FYNMAP4K1HRH3KCNH2
SCHEMBL26516537 0.79 FYN (0.53) ACVR1FYNMAP4K1KCNH2
SCHEMBL30360598 0.79 MAP4K1 (0.48) ACVR1MAP4K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115956077-A Substituted heteroaryl compounds as TLR9 inhibitors 百时美施贵宝公司 2023-04-11 — — CN claimed
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL MYERS SQUIBB CO (US) 2023-10-12 — — US disclosed
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL MYERS SQUIBB CO (US) 2023-10-12 — — US disclosed
CN-115956077-A Substituted heteroaryl compounds as TLR9 inhibitors 百时美施贵宝公司 2023-04-11 — — 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 (1 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-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 TLR9, TLR3, TLR1 ACVR1 138/4885FYN 1248/4885PTK2 546/4885

“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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