SCHEMBL26072124

SCHEMBL26072124

Cc1nc(Cl)cc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 4/20 0.46
▸ CDK5R1 Q15078 4/20 0.46
▸ KIT P10721 1/20 0.44
▸ MAPK14 Q16539 2/20 0.42
▸ MAPK13 O15264 1/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK12 P53778 1/20 0.42
▸ MAPK11 Q15759 1/20 0.42
▸ PTGS2 P35354 9/20 0.41
▸ PTGS1 P23219 3/20 0.40
▸ EGFR P00533 1/20 0.39
▸ SCD O00767 1/20 0.39

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
SCHEMBL26072975 0.88 KIT (0.44) CDK5CDK5R1KITMAPK14MAPK13
SCHEMBL26071976 0.84 ALOX5 (0.36) CDK5CDK5R1KIT
SCHEMBL26072889 0.84 CA12 (0.42) CDK5CDK5R1KITPTGS2PTGS1
SCHEMBL26381205 0.78 CDK5 (0.43) CDK5CDK5R1KITMAPK14MAPK13
SCHEMBL26072969 0.77 FYN (0.53) CDK5CDK5R1KITMAPK14MAPK13
SCHEMBL26072873 0.77 PIK3CA (0.47) —
SCHEMBL8573911 0.77 PTGS2 (0.50) KITPTGS2PTGS1
SCHEMBL26381202 0.73 PTGS2 (0.46) MAPK14MAPK11PTGS2PTGS1
SCHEMBL8308055 0.72 MEN1 (0.60) CDK5CDK5R1PTGS2PTGS1
SCHEMBL3997004 0.71 PTGS2 (0.50) 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 6 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
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
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 (2 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 CDK5 4629/4885CDK5R1 3477/4885KIT 4457/4885
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 CDK5 3817/4885CDK5R1 2504/4885KIT 2944/4885

“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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