SCHEMBL23906407

SCHEMBL23906407

COP(=O)(OC)c1ccc(Oc2nc(C3CCOCC3)c(-c3ccnc(C)c3)c3cc4cn[nH]c4cc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.35
DRD1 P21728 3/20 0.34
ATR Q13535 2/20 0.34
ATRIP Q8WXE1 1/20 0.34
TLR9 Q9NR96 3/20 0.33
TLR8 Q9NR97 3/20 0.33
TLR7 Q9NYK1 3/20 0.33
LRRK2 Q5S007 2/20 0.33
GRM4 Q14833 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
MAPK1 P28482 1/20 0.31
SRC P12931 1/20 0.31
SYK P43405 1/20 0.31
GSK3A P49840 1/20 0.31
MAPK14 Q16539 1/20 0.31

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 0.93 DRD1 (0.34) PDE10ADRD1TLR9TLR8TLR7
SCHEMBL23906406 0.93 PDE10A (0.35) PDE10ADRD1TLR9TLR8TLR7
SCHEMBL23905409 0.87 PDE10A (0.38) PDE10ADRD1TLR9TLR8TLR7
SCHEMBL23906084 0.87 DRD1 (0.35) PDE10ADRD1ATRATRIPLRRK2
SCHEMBL23905430 0.87 PDE10A (0.38) PDE10ADRD1TLR9TLR8TLR7
SCHEMBL23905431 0.87 TGFBR1 (0.42) PDE10ADRD1TLR9TLR8TLR7
SCHEMBL23905410 0.87 PDE10A (0.38) PDE10ADRD1TLR9TLR8TLR7
SCHEMBL23905413 0.85 TGFBR1 (0.35) DRD1TLR9TLR8TLR7LRRK2
SCHEMBL23906408 0.84 MMP12 (0.35) PDE10ADRD1TLR9TLR8TLR7
SCHEMBL23905412 0.83 GCK (0.37) PDE10ADRD1TLR9TLR8TLR7

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 PDE10A 3268/4885DRD1 577/4885ATR 1920/4885

“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.