SCHEMBL26516732

SCHEMBL26516732

CC(C)N1CCN(c2ccc(-c3cnc4cc(-c5ccc(S(C)(=O)=O)cc5F)n(C)c4c3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 2/20 0.41
▸ ACVR1 Q04771 4/20 0.41
▸ FYN P06241 1/20 0.39
▸ PIK3CA P42336 2/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ BMPR1B O00238 2/20 0.37
▸ BMPR1A P36894 2/20 0.37
▸ TGFBR1 P36897 2/20 0.37
▸ ACVRL1 P37023 2/20 0.37
▸ SLC6A9 P48067 1/20 0.36
▸ ACVR1B P36896 1/20 0.36
▸ TNIK Q9UKE5 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ PTGS1 P23219 1/20 0.35

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
SCHEMBL30360607 1.00 MAP4K1 (0.41) MAP4K1ACVR1FYNPIK3CAPIK3CD
SCHEMBL26516557 0.88 MAP4K1 (0.47) MAP4K1ACVR1FYNPIK3CAPIK3CD
SCHEMBL30360601 0.88 MAP4K1 (0.47) MAP4K1ACVR1FYNPIK3CAPIK3CD
SCHEMBL26516742 0.87 MAP4K1 (0.40) MAP4K1ACVR1SLC6A9PRKDCRAD52
SCHEMBL30360618 0.87 PRKDC (0.37) MAP4K1ACVR1PRKDCPTGS1PTGS2
SCHEMBL26516738 0.87 PRKDC (0.37) MAP4K1ACVR1PRKDCPTGS1PTGS2
SCHEMBL26516639 0.85 ACVR1 (0.50) MAP4K1ACVR1FYNPIK3CAPIK3CD
SCHEMBL30360624 0.85 ACVR1 (0.50) MAP4K1ACVR1FYNPIK3CAPIK3CD
SCHEMBL30360625 0.82 HRH3 (0.41) MAP4K1ACVR1PIK3CAMTORHRH3
SCHEMBL26516735 0.82 HRH3 (0.41) MAP4K1ACVR1PIK3CAMTORHRH3

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 3 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

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 2619/4885ACVR1 138/4885FYN 1248/4885

“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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