SCHEMBL25365280

SCHEMBL25365280

Cc1nc(-c2ccc(N3CCC4(CC3)CN(C(C)C)C4)cc2)cc2c1nc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 12/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.34
▸ PTGS1 P23219 5/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SYK P43405 2/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ MAP4K1 Q92918 1/20 0.33

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
SCHEMBL30541568 1.00 PTGS2 (0.36) PTGS2HRH3PTGS1MEN1USP2
SCHEMBL25364262 0.93 PTGS2 (0.38) PTGS2HRH3PTGS1MEN1USP2
SCHEMBL30541646 0.93 PTGS2 (0.38) PTGS2HRH3PTGS1MEN1USP2
SCHEMBL30541586 0.93 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL25365541 0.93 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL25364313 0.90 HRH3 (0.43) PTGS2HRH3PTGS1SYKMAP4K1
SCHEMBL30541610 0.90 HRH3 (0.43) PTGS2HRH3PTGS1SYKMAP4K1
SCHEMBL25366514 0.89 CYP2D6 (0.39) PTGS2PTGS1USP2CYP2C19HSD17B10
SCHEMBL30541651 0.89 CYP2D6 (0.39) PTGS2PTGS1USP2CYP2C19HSD17B10
SCHEMBL25366890 0.86 HRH3 (0.36) PTGS2HRH3PTGS1MEN1USP2

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
US-20250163054-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-22 — — US claimed
WO-2023159153-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-24 — — WO claimed
US-20250163054-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-22 — — US disclosed
WO-2023159153-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-24 — — WO 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-20250163054-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 TLR9, TLR3, TLR1 PTGS2 957/4885HRH3 101/4885PTGS1 435/4885

“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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