SCHEMBL26072075

SCHEMBL26072075

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 8/20 0.41
▸ JAK2 O60674 8/20 0.41
▸ JAK3 P52333 8/20 0.41
▸ NR1H2 P55055 5/20 0.41
▸ DRD2 P14416 2/20 0.40
▸ ACVR1 Q04771 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.35
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NR1H3 Q13133 1/20 0.34

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
SCHEMBL29395849 1.00 PTK2 (0.41) PTK2JAK2JAK3NR1H2DRD2
SCHEMBL26072112 0.91 MAP4K1 (0.38) PTK2JAK2JAK3
SCHEMBL29393670 0.91 MAP4K1 (0.38) PTK2JAK2JAK3
SCHEMBL29396209 0.89 JAK2 (0.42) PTK2JAK2JAK3NR1H2DRD2
SCHEMBL26072319 0.89 JAK2 (0.42) PTK2JAK2JAK3NR1H2DRD2
SCHEMBL29393611 0.84 NAMPT (0.35) PTK2JAK2JAK3NOS3NOS1
SCHEMBL26072403 0.84 NAMPT (0.35) PTK2JAK2JAK3NOS3NOS1
SCHEMBL26381064 0.82 VCP (0.40) PTK2JAK2JAK3NR1H2DRD2
SCHEMBL26072181 0.81 JAK2 (0.41) PTK2JAK2JAK3NR1H2NOS3
SCHEMBL26072039 0.80 GPR119 (0.34) PTK2JAK2JAK3NR1H2

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

“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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