SCHEMBL26072019

SCHEMBL26072019

Cc1nc(-c2cc(F)c(N3CC4CCC(C3)N4CCCO)cc2F)cc2c1cc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 13/20 0.33
▸ GABRA2 P47869 1/20 0.31
▸ PTGS1 P23219 2/20 0.31
▸ GPR119 Q8TDV5 2/20 0.30

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
SCHEMBL29395868 1.00 PTGS2 (0.33) PTGS2GABRA2PTGS1GPR119
SCHEMBL29393614 0.91 PTGS2 (0.33) PTGS2PTGS1GPR119
SCHEMBL26072035 0.91 PTGS2 (0.33) PTGS2PTGS1GPR119
SCHEMBL26072411 0.90 PTGS2 (0.32) PTGS2GPR119
SCHEMBL29396319 0.90 PTGS2 (0.32) PTGS2GPR119
SCHEMBL29393689 0.86 SLC6A9 (0.35) PTGS2
SCHEMBL26072390 0.86 SLC6A9 (0.35) PTGS2
SCHEMBL29393652 0.85 PTGS2 (0.35) PTGS2GPR119
SCHEMBL26072279 0.85 PTGS2 (0.35) PTGS2GPR119
SCHEMBL29395829 0.82 HTR6 (0.36) PTGS2PTGS1

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 1061/4885GABRA2 4484/4885PTGS1 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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