SCHEMBL26516557

SCHEMBL26516557

CC(C)N1CCN(c2ccc(-c3cnc4cc(-c5ccc(S(C)(=O)=O)cc5)n(C)c4c3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 1/20 0.47
▸ RAD52 P43351 1/20 0.43
▸ ACVR1 Q04771 2/20 0.41
▸ FYN P06241 2/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.39
▸ PIK3CD O00329 2/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ PIK3CB P42338 2/20 0.38
▸ PIK3CG P48736 2/20 0.38
▸ PIK3R1 P27986 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ MET P08581 1/20 0.38
▸ JAK2 O60674 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ PTK2 Q05397 2/20 0.38
▸ OGA O60502 3/20 0.38
▸ SYK P43405 1/20 0.37
▸ PDE7A Q13946 1/20 0.37
▸ GPR119 Q8TDV5 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
SCHEMBL30360601 1.00 MAP4K1 (0.47) MAP4K1RAD52ACVR1FYNHRH3
SCHEMBL30360624 0.91 ACVR1 (0.50) MAP4K1ACVR1FYNHRH3PIK3CD
SCHEMBL26516639 0.91 ACVR1 (0.50) MAP4K1ACVR1FYNHRH3PIK3CD
SCHEMBL26516732 0.88 MAP4K1 (0.41) MAP4K1RAD52ACVR1FYNHRH3
SCHEMBL30360607 0.88 MAP4K1 (0.41) MAP4K1RAD52ACVR1FYNHRH3
SCHEMBL29006626 0.88 MAP4K1 (0.47) MAP4K1RAD52ACVR1LRRK2JAK2
SCHEMBL26516919 0.87 FYN (0.43) MAP4K1ACVR1FYNHRH3SYK
SCHEMBL30360598 0.86 MAP4K1 (0.48) MAP4K1RAD52ACVR1
SCHEMBL26121332 0.86 MAP4K1 (0.48) MAP4K1RAD52ACVR1
SCHEMBL30360613 0.86 PIK3CA (0.41) ACVR1PIK3CDPIK3CAPIK3CBPIK3CG

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 MAP4K1 2619/4885RAD52 2191/4885ACVR1 138/4885

“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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