SCHEMBL26072407

SCHEMBL26072407

Cc1nc(-c2ccc(N3CCOCC3)cc2)cc2c1cc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.46
▸ JAK3 P52333 7/20 0.46
▸ PTK2 Q05397 6/20 0.46
▸ AHR P35869 1/20 0.44
▸ PTGS2 P35354 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ AKR1C3 P42330 1/20 0.42
▸ PTGS1 P23219 1/20 0.41
▸ XDH P47989 1/20 0.40
▸ SYK P43405 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL29396361 1.00 JAK2 (0.46) JAK2JAK3PTK2AHRPTGS2
SCHEMBL26071950 0.89 JAK3 (0.40) JAK2JAK3PTK2AHRPTGS2
SCHEMBL29396188 0.89 JAK3 (0.40) JAK2JAK3PTK2AHRPTGS2
SCHEMBL29395231 0.88 JAK2 (0.39) JAK2JAK3PTK2PTGS2PTGS1
SCHEMBL26072207 0.88 JAK2 (0.39) JAK2JAK3PTK2PTGS2PTGS1
SCHEMBL29395874 0.87 HRH3 (0.43) JAK2JAK3PTK2SYK
SCHEMBL26072343 0.87 HRH3 (0.43) JAK2JAK3PTK2SYK
SCHEMBL29395854 0.87 MAP4K1 (0.37) JAK2JAK3PTK2PTGS2AKR1C3
SCHEMBL26072710 0.87 MAP4K1 (0.37) JAK2JAK3PTK2PTGS2AKR1C3
SCHEMBL26072672 0.87 HRH3 (0.40) JAK2JAK3PTK2PTGS2SYK

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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