SCHEMBL26120751

SCHEMBL26120751

COc1ccc(-c2cc3ncc(-c4ccc(N5CCN(C(C)C)CC5)cc4)cc3n2C)cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 4/20 0.49
▸ TGFBR1 P36897 5/20 0.42
▸ ACVR1 Q04771 5/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ TBK1 Q9UHD2 2/20 0.40
▸ TLR9 Q9NR96 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ RET P07949 1/20 0.38
▸ SUV39H2 Q9H5I1 2/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ MAP4K1 Q92918 2/20 0.38
▸ IL2 P60568 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ MAP4K3 Q8IVH8 1/20 0.38

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
SCHEMBL30360604 1.00 FYN (0.49) FYNTGFBR1ACVR1KCNH2TBK1
SCHEMBL30360599 0.95 FYN (0.51) FYNTGFBR1ACVR1KCNH2TLR9
SCHEMBL26516706 0.95 FYN (0.51) FYNTGFBR1ACVR1KCNH2TLR9
SCHEMBL30475493 0.90 FYN (0.50) FYNTGFBR1ACVR1KCNH2TBK1
SCHEMBL26516537 0.89 FYN (0.53) FYNTGFBR1ACVR1KCNH2TLR9
SCHEMBL26516612 0.86 MAP4K1 (0.49) FYNTGFBR1ACVR1KCNH2TLR9
SCHEMBL26516919 0.80 FYN (0.43) FYNTGFBR1ACVR1KCNH2MAP4K1
SCHEMBL26516610 0.79 TLR8 (0.55) FYNTGFBR1ACVR1TLR9TLR8
SCHEMBL26516625 0.77 TGFBR1 (0.63) FYNTGFBR1ACVR1TLR9TLR8
SCHEMBL30360601 0.76 MAP4K1 (0.47) FYNACVR1MAP4K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4200015-B1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL MYERS SQUIBB CO (US) 2026-04-29 — — EP claimed
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL MYERS SQUIBB CO (US) 2023-10-12 — — US claimed
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 FYN 1248/4885TGFBR1 35/4885ACVR1 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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