SCHEMBL26072759

SCHEMBL26072759

Cc1nc(-c2cc(F)c(N3CCN(C4CCOCC4)CC3)c(F)c2)cc2c1cc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.36
▸ PTGS1 P23219 1/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ KDM2B Q8NHM5 1/20 0.34
▸ MTOR P42345 2/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ JAK3 P52333 4/20 0.33
▸ PTK2 Q05397 4/20 0.33
▸ JAK2 O60674 3/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ ATR Q13535 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PIK3CD O00329 1/20 0.32

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
SCHEMBL26072157 0.91 PTGS2 (0.36) PTGS2PTGS1BRD4KDM2BMTOR
SCHEMBL29395776 0.91 PTGS2 (0.36) PTGS2PTGS1BRD4KDM2BMTOR
SCHEMBL26071950 0.89 JAK3 (0.40) PTGS2PTGS1KDM2BJAK3PTK2
SCHEMBL29396188 0.89 JAK3 (0.40) PTGS2PTGS1KDM2BJAK3PTK2
SCHEMBL26072967 0.87 HTR6 (0.38) PTGS2PTGS1KDM2BPRKDCPIK3CA
SCHEMBL29396762 0.87 PRKDC (0.34) PTGS2PTGS1BRD4KDM2BMTOR
SCHEMBL26072201 0.87 PRKDC (0.34) PTGS2PTGS1BRD4KDM2BMTOR
SCHEMBL29395175 0.87 SLC6A9 (0.33) PTGS2PTGS1KDM2BMTOR
SCHEMBL26071985 0.87 SLC6A9 (0.33) PTGS2PTGS1KDM2BMTOR
SCHEMBL29395854 0.85 MAP4K1 (0.37) PTGS2PTGS1MTORJAK3PTK2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-4200298-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 Company (US) 2023-06-28 — — EP claimed
CN-115867549-A 1H-pyrrolo [3,2-c ] pyridine and 1H-pyrrolo [2,3-c ] pyridine derivatives as TLR9 inhibitors for the treatment of fibrosis 百时美施贵宝公司 2023-03-28 — — CN claimed
WO-2022040267-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 COMPANY (US) 2022-02-24 — — WO claimed
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
EP-4200298-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 Company (US) 2023-06-28 — — EP disclosed
CN-115867549-A 1H-pyrrolo [3,2-c ] pyridine and 1H-pyrrolo [2,3-c ] pyridine derivatives as TLR9 inhibitors for the treatment of fibrosis 百时美施贵宝公司 2023-03-28 — — CN disclosed
WO-2022040267-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 COMPANY (US) 2022-02-24 — — WO 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 1061/4885PTGS1 356/4885BRD4 215/4885

“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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