SCHEMBL26072149

SCHEMBL26072149

Cc1nc(-c2ccc(C3CCNCC3)cc2)cc2c1cc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLAT P00750 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ SYK P43405 7/20 0.39
▸ FAAH O00519 1/20 0.38
▸ PTGS2 P35354 1/20 0.37
▸ P2RY14 Q15391 3/20 0.37
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ NMT1 P30419 1/20 0.37
▸ TNKS O95271 2/20 0.37
▸ PARP1 P09874 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ TNKS2 Q9H2K2 2/20 0.37
▸ PSD A5PKW4 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
SCHEMBL29396380 1.00 PLAT (0.40) PLATJAK3PTK2SYKFAAH
SCHEMBL30578804 0.86 GPR119 (0.37) JAK3PTK2PTGS2TLR9TLR8
SCHEMBL25364475 0.84 PLAT (0.40) PLATJAK3PTK2SYKFAAH
SCHEMBL26072085 0.83 TLR9 (0.41) JAK3PTK2SYKTLR9TLR8
SCHEMBL29394205 0.83 TLR9 (0.41) JAK3PTK2SYKTLR9TLR8
SCHEMBL30442361 0.82 GPR119 (0.35) JAK3PTK2SYKPTGS2
SCHEMBL26072810 0.81 GPR119 (0.53) JAK3PTK2SYKFAAH
SCHEMBL29393872 0.81 GPR119 (0.53) JAK3PTK2SYKFAAH
SCHEMBL31576225 0.79 PTGS2 (0.37) SYKPTGS2
SCHEMBL26072706 0.79 PTGS2 (0.37) SYKPTGS2

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 PLAT 2036/4885JAK3 240/4885PTK2 563/4885

“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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