SCHEMBL26381069

SCHEMBL26381069

Cc1nc(Cl)cc(N)c1C#Cc1ccc(S(=O)(=O)C2CC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ HRH4 Q9H3N8 2/20 0.32
▸ CCR6 P51684 2/20 0.31
▸ ADAM17 P78536 1/20 0.30
▸ GSR P00390 1/20 0.30
▸ TXNRD1 Q16881 1/20 0.30

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
SCHEMBL29395755 1.00 CA12 (0.34) CA12CA1CA2CA9PIK3CA
SCHEMBL30442407 0.88 CA12 (0.35) CA12CA1CA2CA9PIK3CA
SCHEMBL26381215 0.73 MAPK8 (0.44) CA12CA1CA2CA9PIK3CA
SCHEMBL26381231 0.69 MAPK8 (0.42) CA12CA1CA2CA9PIK3CA
SCHEMBL26381238 0.68 MTOR (0.41) PIK3CAMTOR
SCHEMBL26072377 0.67 MMP13 (0.41) CA12CA1CA2CA9MMP13
SCHEMBL26104831 0.65 GSR (0.37) PIK3CAMTORGSRTXNRD1
SCHEMBL26071976 0.65 ALOX5 (0.36) CA12CA1CA2CA9
SCHEMBL12241625 0.63 ALDH1A1 (0.42) CA12CA1CA2CA9MMP13
SCHEMBL21014310 0.63 ALDH1A1 (0.41) CA12CA1CA2CA9MMP13

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 CA12 3330/4885CA1 3989/4885CA2 1485/4885

“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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