SCHEMBL31576222

SCHEMBL31576222

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 9/20 0.37
▸ PTGS1 P23219 7/20 0.36
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 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
SCHEMBL26072762 1.00 PTGS2 (0.37) PTGS2PTGS1KDM4EALDH1A1KMT2A
SCHEMBL31576225 0.85 PTGS2 (0.37) PTGS2PTGS1HDAC6MAOAMAOB
SCHEMBL26072706 0.85 PTGS2 (0.37) PTGS2PTGS1HDAC6MAOAMAOB
SCHEMBL30442451 0.84 PTGS2 (0.39) PTGS2PTGS1ALDH1A1HDAC6
SCHEMBL26072088 0.81 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL29394173 0.81 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL26072089 0.81 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL29395815 0.77 KDM5A (0.41) PTGS2PTGS1
SCHEMBL31576212 0.76 CCR2 (0.38) —
SCHEMBL26072992 0.76 CCR2 (0.38) —

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-12590091-B2 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 COMPANY (US) 2026-03-31 — — US disclosed
EP-4200298-B1 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) 2025-05-21 — — EP 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-12590091-B2 1H-pyrrolo[3,2-C]pyridine and 1H-pyrrolo[2,3-C]pyridine derivatives as TLR9 inhibitors for the treatment of fibrosis TLR9, TLR1, TLR3 PTGS2 1438/4885PTGS1 629/4885KDM4E 1311/4885

“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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