SCHEMBL26072201

SCHEMBL26072201

Cc1nc(-c2cc(F)c(N3CCN(C4CCOCC4)CC3)cc2F)cc2c1cc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 1/20 0.34
▸ JAK3 P52333 4/20 0.34
▸ PTK2 Q05397 4/20 0.34
▸ JAK2 O60674 3/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ PTGS2 P35354 3/20 0.33
▸ KDM2B Q8NHM5 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ SLC6A9 P48067 3/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ PDE7A Q13946 1/20 0.32
▸ CYP11B2 P19099 1/20 0.31

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
SCHEMBL29396762 1.00 PRKDC (0.34) PRKDCJAK3PTK2JAK2CYP3A4
SCHEMBL26072157 0.91 PTGS2 (0.36) PRKDCBRD4PTGS2KDM2BMTOR
SCHEMBL29395776 0.91 PTGS2 (0.36) PRKDCBRD4PTGS2KDM2BMTOR
SCHEMBL26071927 0.89 JAK3 (0.34) PRKDCJAK3PTK2JAK2CYP3A4
SCHEMBL29395829 0.88 HTR6 (0.36) PRKDCJAK3PTK2JAK2PTGS2
SCHEMBL26072887 0.88 HTR6 (0.36) PRKDCJAK3PTK2JAK2PTGS2
SCHEMBL26072759 0.87 PTGS2 (0.36) PRKDCJAK3PTK2JAK2CYP3A4
SCHEMBL29395175 0.86 SLC6A9 (0.33) PTGS2KDM2BMTORPTGS1SLC6A9
SCHEMBL26071985 0.86 SLC6A9 (0.33) PTGS2KDM2BMTORPTGS1SLC6A9
SCHEMBL29396188 0.86 JAK3 (0.40) JAK3PTK2JAK2CYP3A4PTGS2

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 PRKDC 2049/4885JAK3 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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