SCHEMBL25366514

SCHEMBL25366514

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.39
▸ GPR119 Q8TDV5 1/20 0.36
▸ KCNJ1 P48048 1/20 0.35
▸ PTGS2 P35354 12/20 0.35
▸ USP2 O75604 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PTGS1 P23219 2/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ PTK2 Q05397 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL30541651 1.00 CYP2D6 (0.39) CYP2D6GPR119KCNJ1PTGS2USP2
SCHEMBL25367480 0.93 KCNJ1 (0.38) CYP2D6GPR119KCNJ1PTGS2USP2
SCHEMBL30541598 0.93 KCNJ1 (0.38) CYP2D6GPR119KCNJ1PTGS2USP2
SCHEMBL30541620 0.93 PTGS2 (0.38) CYP2D6GPR119PTGS2PTGS1
SCHEMBL25368481 0.93 PTGS2 (0.38) CYP2D6GPR119PTGS2PTGS1
SCHEMBL25365387 0.91 GPR119 (0.39) GPR119PTGS2PTGS1JAK2JAK3
SCHEMBL30541577 0.91 GPR119 (0.39) GPR119PTGS2PTGS1JAK2JAK3
SCHEMBL25365280 0.89 PTGS2 (0.36) GPR119PTGS2USP2CYP2C19PTGS1
SCHEMBL30541568 0.89 PTGS2 (0.36) GPR119PTGS2USP2CYP2C19PTGS1
SCHEMBL25365511 0.88 JAK2 (0.37) KCNJ1PTGS2PTGS1JAK2JAK3

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 CYP2D6 4333/4885GPR119 79/4885KCNJ1 3952/4885

“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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