SCHEMBL26072319

SCHEMBL26072319

Cc1nc(-c2ccc(N3CCN(C(C)C)CC3)cc2)cc2c1cc(-c1cccc(S(C)(=O)=O)c1)n2C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.42
▸ JAK3 P52333 4/20 0.42
▸ PTK2 Q05397 4/20 0.42
▸ FYN P06241 2/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ ACVR1 Q04771 1/20 0.39
▸ NR1H2 P55055 3/20 0.39
▸ SYK P43405 2/20 0.38
▸ ALK Q9UM73 2/20 0.37
▸ KHK P50053 1/20 0.37
▸ VCP P55072 1/20 0.36
▸ NR1H3 Q13133 2/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ CDK4 P11802 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
SCHEMBL29396209 1.00 JAK2 (0.42) JAK2JAK3PTK2FYNHRH3
SCHEMBL26072343 0.91 HRH3 (0.43) JAK2JAK3PTK2FYNHRH3
SCHEMBL29395874 0.91 HRH3 (0.43) JAK2JAK3PTK2FYNHRH3
SCHEMBL29395849 0.89 PTK2 (0.41) JAK2JAK3PTK2ACVR1NR1H2
SCHEMBL26072075 0.89 PTK2 (0.41) JAK2JAK3PTK2ACVR1NR1H2
SCHEMBL26071969 0.88 VCP (0.41) JAK2JAK3PTK2NR1H2KHK
SCHEMBL26072240 0.83 HRH3 (0.41) JAK2JAK3PTK2FYNHRH3
SCHEMBL29393833 0.83 HRH3 (0.41) FYNHRH3ACVR1SYKALK
SCHEMBL26072002 0.83 HRH3 (0.41) FYNHRH3ACVR1SYKALK
SCHEMBL26381062 0.81 VCP (0.49) JAK2JAK3PTK2FYNHRH3

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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