SCHEMBL26072118

SCHEMBL26072118

CC(C)(O)CN1C2CCC1CN(Cc1ccc(-c3cc4c(cn3)cc(-c3ccc(S(C)(=O)=O)cc3)n4C3CC3)cc1)C2

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 13/20 0.42
▸ PTGS2 P35354 3/20 0.38
▸ STAT3 P40763 1/20 0.36
▸ KDR P35968 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ ROCK2 O75116 1/20 0.34
▸ MLNR O43193 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
SCHEMBL29396269 1.00 GPR119 (0.42) GPR119PTGS2STAT3KDRMAPK14
SCHEMBL30442239 0.94 GPR119 (0.42) GPR119PTGS2STAT3KDRMAPK14
SCHEMBL26072673 0.94 GPR119 (0.42) GPR119PTGS2STAT3KDRMAPK14
SCHEMBL29395748 0.92 GPR119 (0.43) GPR119PTGS2STAT3
SCHEMBL26072716 0.92 GPR119 (0.43) GPR119PTGS2STAT3
SCHEMBL31576220 0.87 GPR119 (0.45) GPR119STAT3
SCHEMBL26072047 0.87 GPR119 (0.45) GPR119STAT3
SCHEMBL31576213 0.78 CCR2 (0.38) PTGS2STAT3
SCHEMBL26072351 0.78 CCR2 (0.38) PTGS2STAT3
SCHEMBL31576221 0.77 GPR119 (0.44) GPR119PTGS2KDRMAPK14

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 GPR119 33/4885PTGS2 1061/4885STAT3 45/4885

“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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