SCHEMBL26516919

SCHEMBL26516919

Cc1ccc(-c2cc3ncc(-c4ccc(N5CCN(C(C)C)CC5)cc4)cc3n2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 4/20 0.43
▸ MAP4K1 Q92918 2/20 0.43
▸ ACVR1 Q04771 3/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ TGFBR1 P36897 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ NPM1 P06748 1/20 0.39
▸ ALK Q9UM73 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ PDE7A Q13946 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.37
▸ GRIN2B Q13224 3/20 0.37
▸ KHK P50053 1/20 0.36

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 0.87 MAP4K1 (0.47) FYNMAP4K1ACVR1HRH3SYK
SCHEMBL26516557 0.87 MAP4K1 (0.47) FYNMAP4K1ACVR1HRH3SYK
SCHEMBL26516537 0.85 FYN (0.53) FYNMAP4K1ACVR1TGFBR1KCNH2
SCHEMBL26516612 0.82 MAP4K1 (0.49) FYNMAP4K1ACVR1TGFBR1KCNH2
SCHEMBL26516639 0.81 ACVR1 (0.50) FYNMAP4K1ACVR1HRH3KCNH2
SCHEMBL30360624 0.81 ACVR1 (0.50) FYNMAP4K1ACVR1HRH3KCNH2
SCHEMBL30360599 0.80 FYN (0.51) FYNMAP4K1ACVR1TGFBR1KCNH2
SCHEMBL30360604 0.80 FYN (0.49) FYNMAP4K1ACVR1TGFBR1KCNH2
SCHEMBL26120751 0.80 FYN (0.49) FYNMAP4K1ACVR1TGFBR1KCNH2
SCHEMBL26516706 0.80 FYN (0.51) FYNMAP4K1ACVR1TGFBR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1248/4885MAP4K1 2619/4885ACVR1 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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