SCHEMBL26072067

SCHEMBL26072067

Cc1nc(-c2ccc(N3CCN(CCCO)CC3)c(F)c2F)cc2c1cc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 4/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ GPR55 Q9Y2T6 2/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ PTK2 Q05397 2/20 0.35
▸ PTGS2 P35354 7/20 0.34
▸ ESR1 P03372 2/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ PDE5A O76074 2/20 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
SCHEMBL29393664 1.00 SLC6A9 (0.35) SLC6A9DRD2DRD3GPR55JAK2
SCHEMBL26072390 0.89 SLC6A9 (0.35) SLC6A9DRD2DRD3GPR55JAK2
SCHEMBL29393689 0.89 SLC6A9 (0.35) SLC6A9DRD2DRD3GPR55JAK2
SCHEMBL26072270 0.88 JAK2 (0.34) SLC6A9GPR55JAK2JAK3PTK2
SCHEMBL26072099 0.84 JAK2 (0.39) DRD2JAK2JAK3PTK2PTGS2
SCHEMBL29394099 0.84 JAK2 (0.39) DRD2JAK2JAK3PTK2PTGS2
SCHEMBL29393647 0.84 SYK (0.39) SLC6A9GPR55JAK2JAK3PTK2
SCHEMBL26072045 0.84 SYK (0.39) SLC6A9GPR55JAK2JAK3PTK2
SCHEMBL26381110 0.84 SLC6A9 (0.35) SLC6A9DRD2DRD3GPR55JAK2
SCHEMBL26071927 0.81 JAK3 (0.34) SLC6A9JAK2JAK3PTK2PTGS2

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 SLC6A9 3650/4885DRD2 4065/4885DRD3 3926/4885

“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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