SCHEMBL23906178

SCHEMBL23906178

Cc1cc(-c2c(C3CCOCC3)nc(O[C@H]3C[C@@H](N4CCOCC4)C3)c3cc4[nH]ncc4cc23)ccn1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 10/20 0.41
TLR8 Q9NR97 10/20 0.41
TLR7 Q9NYK1 10/20 0.41
LRRK2 Q5S007 3/20 0.37
GRIA1 P42261 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL23906170 0.88 LRRK2 (0.38) TLR9TLR8TLR7LRRK2
SCHEMBL23906173 0.86 LRRK2 (0.37) TLR9TLR8TLR7LRRK2IRAK4
SCHEMBL30251796 0.85 LRRK2 (0.37) TLR9TLR8TLR7LRRK2IRAK4
SCHEMBL23884552 0.84 TLR9 (0.38) TLR9TLR8TLR7LRRK2
SCHEMBL23906316 0.84 TLR9 (0.42) TLR9TLR8TLR7LRRK2
SCHEMBL23906169 0.83 LRRK2 (0.37) TLR9TLR8TLR7LRRK2
SCHEMBL23906315 0.83 TLR9 (0.39) TLR9TLR8TLR7LRRK2
SCHEMBL23906319 0.83 TLR9 (0.39) TLR9TLR8TLR7LRRK2
SCHEMBL23884537 0.83 TLR9 (0.37) TLR9TLR8TLR7LRRK2
SCHEMBL23884535 0.83 TLR9 (0.37) TLR9TLR8TLR7LRRK2

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 TLR9 4866/4885TLR8 4773/4885TLR7 4748/4885

“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.