SCHEMBL26072088

SCHEMBL26072088

Cc1nc(-c2ccc(C=O)cc2)cc2c1cc(-c1ccc(S(C)(=O)=O)cc1)n2C1CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.43
▸ TGFBR1 P36897 5/20 0.37
▸ MAPK14 Q16539 5/20 0.37
▸ KDR P35968 4/20 0.37
▸ PTGS1 P23219 3/20 0.37
▸ SYK P43405 1/20 0.36
▸ PSD A5PKW4 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 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
SCHEMBL29394173 1.00 PTGS2 (0.43) PTGS2TGFBR1MAPK14KDRPTGS1
SCHEMBL31576225 0.84 PTGS2 (0.37) PTGS2PTGS1SYK
SCHEMBL26072706 0.84 PTGS2 (0.37) PTGS2PTGS1SYK
SCHEMBL26072341 0.83 GPR119 (0.44) PTGS2TGFBR1MAPK14KDRSYK
SCHEMBL31576221 0.83 GPR119 (0.44) PTGS2TGFBR1MAPK14KDRSYK
SCHEMBL26072721 0.81 PTGS2 (0.47) PTGS2TGFBR1MAPK14KDRPTGS1
SCHEMBL26072762 0.81 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL31576222 0.81 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL31576213 0.77 CCR2 (0.38) PTGS2
SCHEMBL26072351 0.77 CCR2 (0.38) PTGS2

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 1 patent. 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

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 1061/4885TGFBR1 81/4885MAPK14 1004/4885

“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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