SCHEMBL26072085

SCHEMBL26072085

Cc1nc(-c2ccc(C3CCN(CCCO)CC3)cc2)cc2c1cc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 3/20 0.41
▸ TLR8 Q9NR97 3/20 0.41
▸ TLR7 Q9NYK1 3/20 0.41
▸ SYK P43405 2/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ JAK2 O60674 4/20 0.38
▸ PTK2 Q05397 4/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ JAK3 P52333 3/20 0.37
▸ MCHR1 Q99705 2/20 0.37
▸ NR1H4 Q96RI1 1/20 0.35
▸ KDM4A O75164 1/20 0.34
▸ KDM4B O94953 1/20 0.34
▸ KDM5C P41229 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34
▸ CTSS P25774 1/20 0.34

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
SCHEMBL29394205 1.00 TLR9 (0.41) TLR9TLR8TLR7SYKGPR119
SCHEMBL29394099 0.87 JAK2 (0.39) SYKJAK2PTK2DRD2JAK3
SCHEMBL29393641 0.87 JAK2 (0.42) JAK2PTK2JAK3
SCHEMBL26072412 0.87 JAK2 (0.42) JAK2PTK2JAK3
SCHEMBL26072099 0.87 JAK2 (0.39) SYKJAK2PTK2DRD2JAK3
SCHEMBL30578804 0.84 GPR119 (0.37) TLR9TLR8TLR7GPR119JAK2
SCHEMBL30442361 0.84 GPR119 (0.35) SYKGPR119JAK2PTK2DRD2
SCHEMBL29396380 0.83 PLAT (0.40) TLR9TLR8TLR7SYKPTK2
SCHEMBL26072149 0.83 PLAT (0.40) TLR9TLR8TLR7SYKPTK2
SCHEMBL29393810 0.81 SYK (0.36) SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2023-10-05 — — US disclosed
US-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2023-10-05 — — 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-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 TLR9 1/4885TLR8 12/4885TLR7 3/4885

“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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