SCHEMBL26072706

SCHEMBL26072706

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 8/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.36
▸ PTGS1 P23219 3/20 0.36
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ SYK P43405 2/20 0.35
▸ IDO1 P14902 1/20 0.35

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
SCHEMBL31576225 1.00 PTGS2 (0.37) PTGS2HDAC6PTGS1MAOAMAOB
SCHEMBL26072762 0.85 PTGS2 (0.37) PTGS2HDAC6PTGS1MAOAMAOB
SCHEMBL31576222 0.85 PTGS2 (0.37) PTGS2HDAC6PTGS1MAOAMAOB
SCHEMBL29394173 0.84 PTGS2 (0.43) PTGS2PTGS1SYK
SCHEMBL26072088 0.84 PTGS2 (0.43) PTGS2PTGS1SYK
SCHEMBL30441922 0.83 HSD11B1 (0.39) PTGS2HDAC6PTGS1
SCHEMBL25367493 0.81 PTGS2 (0.42) PTGS2HDAC6PTGS1GRM2SYK
SCHEMBL29396361 0.80 JAK2 (0.46) PTGS2PTGS1SYK
SCHEMBL26072407 0.80 JAK2 (0.46) PTGS2PTGS1SYK
SCHEMBL29396380 0.79 PLAT (0.40) PTGS2SYK

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 PTGS2 1061/4885HDAC6 959/4885PTGS1 356/4885

“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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