SCHEMBL26072207

SCHEMBL26072207

Cc1nc(-c2ccc(N3CCS(=O)(=O)CC3)cc2)cc2c1cc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 9/20 0.39
▸ JAK3 P52333 9/20 0.39
▸ PTK2 Q05397 9/20 0.39
▸ MAP4K1 Q92918 1/20 0.38
▸ RAD52 P43351 1/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PTGS2 P35354 3/20 0.36
▸ PTGS1 P23219 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ SYK P43405 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ ACVR1 Q04771 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
SCHEMBL29395231 1.00 JAK2 (0.39) JAK2JAK3PTK2MAP4K1RAD52
SCHEMBL26072407 0.88 JAK2 (0.46) JAK2JAK3PTK2PTGS2PTGS1
SCHEMBL29396361 0.88 JAK2 (0.46) JAK2JAK3PTK2PTGS2PTGS1
SCHEMBL26072343 0.86 HRH3 (0.43) JAK2JAK3PTK2MAP4K1RAD52
SCHEMBL29395874 0.86 HRH3 (0.43) JAK2JAK3PTK2MAP4K1RAD52
SCHEMBL26072672 0.85 HRH3 (0.40) JAK2JAK3PTK2MAP4K1RAD52
SCHEMBL29393670 0.83 MAP4K1 (0.38) JAK2JAK3PTK2MAP4K1RAD52
SCHEMBL26072112 0.83 MAP4K1 (0.38) JAK2JAK3PTK2MAP4K1RAD52
SCHEMBL29394099 0.83 JAK2 (0.39) JAK2JAK3PTK2MAP4K1RAD52
SCHEMBL29396253 0.83 MAP4K1 (0.38) JAK2JAK3PTK2MAP4K1PTGS2

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-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

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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