SCHEMBL26072045

SCHEMBL26072045

Cc1nc(-c2ccc(N3CCN(CCO)CC3)c(F)c2)cc2c1cc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.39
▸ SLC6A9 P48067 6/20 0.39
▸ GPR55 Q9Y2T6 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ AOC3 Q16853 1/20 0.34

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
SCHEMBL29393647 1.00 SYK (0.39) SYKSLC6A9GPR55JAK2JAK3
SCHEMBL29397079 0.90 SYK (0.37) SYKSLC6A9GPR55JAK2MAPK1
SCHEMBL26072285 0.89 SLC6A9 (0.35) SYKSLC6A9GPR55JAK2JAK3
SCHEMBL29397075 0.89 SLC6A9 (0.35) SYKSLC6A9GPR55JAK2JAK3
SCHEMBL26072057 0.86 SLC6A9 (0.36) SLC6A9GPR55NPY2RAOC3
SCHEMBL29393689 0.85 SLC6A9 (0.35) SLC6A9GPR55JAK2JAK3PTK2
SCHEMBL26072390 0.85 SLC6A9 (0.35) SLC6A9GPR55JAK2JAK3PTK2
SCHEMBL26072067 0.84 SLC6A9 (0.35) SLC6A9GPR55JAK2JAK3PTK2
SCHEMBL29393664 0.84 SLC6A9 (0.35) SLC6A9GPR55JAK2JAK3PTK2
SCHEMBL29393614 0.83 PTGS2 (0.33) SYKSLC6A9GPR55

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 SYK 162/4885SLC6A9 3650/4885GPR55 1212/4885

“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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