SCHEMBL26072242

SCHEMBL26072242

COCCN1CCN(c2ccc(-c3cc4c(cc(-c5ccc(S(=O)(=O)C6CC6)cc5)n4C)c(C)n3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 4/20 0.41
▸ MAP4K1 Q92918 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ SYK P43405 2/20 0.34
▸ AURKA O14965 1/20 0.34
▸ FGFR1 P11362 3/20 0.34
▸ FGFR2 P21802 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ FGFR3 P22607 1/20 0.34
▸ USP28 Q96RU2 1/20 0.33
▸ USP25 Q9UHP3 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ GSK3B P49841 1/20 0.33

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
SCHEMBL29395881 1.00 CTSS (0.41) CTSSMAP4K1MMP2MMP13SYK
SCHEMBL26072592 0.91 MAP4K1 (0.38) CTSSMAP4K1SYKAURKAFGFR1
SCHEMBL29396253 0.91 MAP4K1 (0.38) CTSSMAP4K1SYKAURKAFGFR1
SCHEMBL26072227 0.88 KDM2B (0.35) CTSSMAP4K1SYKAURKAFGFR1
SCHEMBL26072696 0.88 SYK (0.36) SYK
SCHEMBL29393810 0.88 SYK (0.36) SYK
SCHEMBL26072403 0.87 NAMPT (0.35) SYKTP53POLB
SCHEMBL29393611 0.87 NAMPT (0.35) SYKTP53POLB
SCHEMBL29393833 0.84 HRH3 (0.41) SYK
SCHEMBL26072002 0.84 HRH3 (0.41) SYK

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 CTSS 2930/4885MAP4K1 1206/4885MMP2 1986/4885

“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.

Send feedback