SCHEMBL23906187

SCHEMBL23906187

Cc1cc(-c2c(C(C)C)nc(O[C@H]3C[C@H](C(=O)O)C3)c3cc4[nH]ncc4cc23)ccn1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 14/20 0.35
TLR7 Q9NYK1 14/20 0.35
TLR9 Q9NR96 13/20 0.35
GRIA1 P42261 2/20 0.34
MAPK1 P28482 1/20 0.33
ROCK1 Q13464 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
SCHEMBL30251927 1.00 TLR8 (0.35) TLR8TLR7TLR9GRIA1MAPK1
SCHEMBL23884772 1.00 TLR8 (0.35) TLR8TLR7TLR9GRIA1MAPK1
SCHEMBL23884511 0.90 GRIA1 (0.35) TLR8TLR7TLR9GRIA1MAPK1
SCHEMBL30251670 0.90 GRIA1 (0.35) TLR8TLR7TLR9GRIA1MAPK1
SCHEMBL23906418 0.90 GRIA1 (0.35) TLR8TLR7TLR9GRIA1MAPK1
SCHEMBL30251613 0.86 GRIA1 (0.34) GRIA1
SCHEMBL23884765 0.86 GRIA1 (0.34) GRIA1
SCHEMBL23905499 0.86 GRIA1 (0.34) GRIA1
SCHEMBL23905473 0.85 MAPK1 (0.34) GRIA1MAPK1ROCK1
SCHEMBL23884510 0.85 MAPK1 (0.34) GRIA1MAPK1ROCK1

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-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
WO-2021203025-A1 1 H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1 H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 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-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINE1, SERPINA3 TLR8 4773/4885TLR7 4748/4885TLR9 4866/4885

“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.