SCHEMBL26072099

SCHEMBL26072099

Cc1nc(-c2ccc(N3CCN(CCCO)CC3)cc2)cc2c1cc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.39
▸ JAK3 P52333 8/20 0.39
▸ PTK2 Q05397 8/20 0.39
▸ MAP4K1 Q92918 1/20 0.38
▸ SYK P43405 3/20 0.37
▸ RAD52 P43351 1/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ PIM1 P11309 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL29394099 1.00 JAK2 (0.39) JAK2JAK3PTK2MAP4K1SYK
SCHEMBL26072696 0.91 SYK (0.36) SYKHTR2AHTR2CSLC6A4PIM1
SCHEMBL29393810 0.91 SYK (0.36) SYKHTR2AHTR2CSLC6A4PIM1
SCHEMBL26072412 0.90 JAK2 (0.42) JAK2JAK3PTK2PTGS2
SCHEMBL29393641 0.90 JAK2 (0.42) JAK2JAK3PTK2PTGS2
SCHEMBL26072592 0.88 MAP4K1 (0.38) JAK2JAK3PTK2MAP4K1SYK
SCHEMBL29396253 0.88 MAP4K1 (0.38) JAK2JAK3PTK2MAP4K1SYK
SCHEMBL26072085 0.87 TLR9 (0.41) JAK2JAK3PTK2SYKDRD2
SCHEMBL29394205 0.87 TLR9 (0.41) JAK2JAK3PTK2SYKDRD2
SCHEMBL29393670 0.87 MAP4K1 (0.38) JAK2JAK3PTK2MAP4K1RAD52

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 JAK2 137/4885JAK3 240/4885PTK2 563/4885

“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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