SCHEMBL26072887

SCHEMBL26072887

Cc1nc(-c2cc(F)c(N3CCN4CCCC4C3)cc2F)cc2c1cc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ PTGS2 P35354 2/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KDM2B Q8NHM5 4/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ FAP Q12884 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PRKDC P78527 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ PTK2 Q05397 1/20 0.31
▸ F10 P00742 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
SCHEMBL29395829 1.00 HTR6 (0.36) HTR6HRH3ALOX5APFEN1PTGS2
SCHEMBL26072339 0.91 HTR6 (0.37) HTR6HRH3ALOX5APFEN1PTGS2
SCHEMBL30441834 0.91 HTR6 (0.37) HTR6HRH3ALOX5APFEN1PTGS2
SCHEMBL26072102 0.89 HTR6 (0.36) HTR6HRH3ALOX5APFEN1PTGS2
SCHEMBL26072201 0.88 PRKDC (0.34) PTGS2PTGS1KDM2BPRKDCJAK2
SCHEMBL29396762 0.88 PRKDC (0.34) PTGS2PTGS1KDM2BPRKDCJAK2
SCHEMBL26072967 0.87 HTR6 (0.38) HTR6HRH3ALOX5APFEN1PTGS2
SCHEMBL26072005 0.85 HRH3 (0.48) HTR6HRH3PTGS2KDM2BJAK2
SCHEMBL29396319 0.83 PTGS2 (0.32) HTR6PTGS2
SCHEMBL26072411 0.83 PTGS2 (0.32) HTR6PTGS2

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 HTR6 3230/4885HRH3 574/4885ALOX5AP 1912/4885

“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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