SCHEMBL23906408

SCHEMBL23906408

Cc1cc(-c2c(C3CCOCC3)nc(Oc3ccc(C4NC(=O)NC4=O)cc3)c3cc4[nH]ncc4cc23)ccn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.35
TLR9 Q9NR96 3/20 0.35
TLR8 Q9NR97 3/20 0.35
TLR7 Q9NYK1 3/20 0.35
DRD1 P21728 3/20 0.34
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
LRRK2 Q5S007 1/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 3/20 0.31
ROCK1 Q13464 2/20 0.31
RPS6KB1 P23443 1/20 0.31
GRK2 P25098 1/20 0.31
GRK5 P34947 1/20 0.31
RPS6KA1 Q15418 1/20 0.31
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL23906404 0.85 DRD1 (0.34) TLR9TLR8TLR7DRD1LRRK2
SCHEMBL23905409 0.85 PDE10A (0.38) TLR9TLR8TLR7DRD1LRRK2
SCHEMBL23905410 0.84 PDE10A (0.38) TLR9TLR8TLR7DRD1LRRK2
SCHEMBL23906406 0.84 PDE10A (0.35) TLR9TLR8TLR7DRD1LRRK2
SCHEMBL23905431 0.84 TGFBR1 (0.42) TLR9TLR8TLR7DRD1LRRK2
SCHEMBL23906407 0.84 PDE10A (0.35) TLR9TLR8TLR7DRD1LRRK2
SCHEMBL23905413 0.83 TGFBR1 (0.35) TLR9TLR8TLR7DRD1LRRK2
SCHEMBL23905435 0.82 MAPK1 (0.38) TLR9TLR8TLR7DRD1LRRK2
SCHEMBL23905430 0.82 PDE10A (0.38) TLR9TLR8TLR7DRD1MAPK1
SCHEMBL23906409 0.81 TLR8 (0.35) TLR9TLR8TLR7MAPTMAPK1

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 MMP12 2191/4885TLR9 4866/4885TLR8 4773/4885

“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.