SCHEMBL31576213

SCHEMBL31576213

Cc1nc(-c2ccc(CN3CCN(CC(C)(C)O)CC3)cc2)cc2c1cc(-c1ccc(S(C)(=O)=O)cc1)n2C1CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 11/20 0.38
▸ JAK2 O60674 6/20 0.38
▸ JAK3 P52333 6/20 0.38
▸ PTK2 Q05397 5/20 0.38
▸ CTSS P25774 1/20 0.37
▸ STAT3 P40763 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 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
SCHEMBL26072351 1.00 CCR2 (0.38) CCR2JAK2JAK3PTK2CTSS
SCHEMBL29395772 0.92 CCR2 (0.44) CCR2JAK2JAK3PTK2
SCHEMBL26072701 0.92 CCR2 (0.44) CCR2JAK2JAK3PTK2
SCHEMBL29395751 0.88 CCR2 (0.42) CCR2JAK2JAK3PTK2
SCHEMBL26071958 0.88 CCR2 (0.42) CCR2JAK2JAK3PTK2
SCHEMBL29395748 0.86 GPR119 (0.43) CCR2JAK2JAK3PTK2CTSS
SCHEMBL26072716 0.86 GPR119 (0.43) CCR2JAK2JAK3PTK2CTSS
SCHEMBL31576212 0.85 CCR2 (0.38) CCR2JAK2JAK3PTK2STAT3
SCHEMBL26072992 0.85 CCR2 (0.38) CCR2JAK2JAK3PTK2STAT3
SCHEMBL29393849 0.81 CCR2 (0.47) CCR2JAK2JAK3PTK2

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 claimed
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

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 CCR2 36/4885JAK2 625/4885JAK3 951/4885

“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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