SCHEMBL26072889

SCHEMBL26072889

COc1nc(Cl)cc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)cc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ KIT P10721 1/20 0.41
▸ CDK5 Q00535 4/20 0.41
▸ CDK5R1 Q15078 4/20 0.41
▸ LRRK2 Q5S007 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ PTGS2 P35354 7/20 0.39
▸ PTGS1 P23219 1/20 0.38
▸ TEK Q02763 1/20 0.38
▸ EGFR P00533 1/20 0.38

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
SCHEMBL26072975 0.85 KIT (0.44) CA12CA1CA2CA9KIT
SCHEMBL26072124 0.84 CDK5 (0.46) KITCDK5CDK5R1PTGS2PTGS1
SCHEMBL26072969 0.77 FYN (0.53) CA12CA1CA2CA9KIT
SCHEMBL26072873 0.74 PIK3CA (0.47) FYN
SCHEMBL8573911 0.74 PTGS2 (0.50) KITPTGS2PTGS1
SCHEMBL26072702 0.72 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL8308055 0.70 MEN1 (0.60) CA12CA1CA2CA9CDK5
SCHEMBL26071976 0.69 ALOX5 (0.36) CA12CA1CA2CA9KIT
SCHEMBL3997004 0.69 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8306238 0.68 CDK5 (0.60) CA12CA1CA2CA9CDK5

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 3 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
EP-4200298-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 Company (US) 2023-06-28 — — EP disclosed
WO-2022040267-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 COMPANY (US) 2022-02-24 — — WO 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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