SCHEMBL23905413

SCHEMBL23905413

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.35
SGK1 O00141 3/20 0.34
ITK Q08881 1/20 0.34
DRD1 P21728 3/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
LRRK2 Q5S007 1/20 0.33
SYK P43405 1/20 0.32
BRD4 O60885 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL23905431 0.88 TGFBR1 (0.42) TGFBR1DRD1TLR9TLR8TLR7
SCHEMBL23905409 0.86 PDE10A (0.38) DRD1TLR9TLR8TLR7LRRK2
SCHEMBL23906404 0.86 DRD1 (0.34) DRD1TLR9TLR8TLR7LRRK2
SCHEMBL23906407 0.85 PDE10A (0.35) DRD1TLR9TLR8TLR7LRRK2
SCHEMBL23906406 0.85 PDE10A (0.35) DRD1TLR9TLR8TLR7LRRK2
SCHEMBL23905410 0.85 PDE10A (0.38) DRD1TLR9TLR8TLR7LRRK2
SCHEMBL23905430 0.84 PDE10A (0.38) DRD1TLR9TLR8TLR7ROCK2
SCHEMBL23905435 0.83 MAPK1 (0.38) DRD1TLR9TLR8TLR7LRRK2
SCHEMBL23906408 0.83 MMP12 (0.35) DRD1TLR9TLR8TLR7LRRK2
SCHEMBL23905412 0.81 GCK (0.37) DRD1TLR9TLR8TLR7LRRK2

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-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 TGFBR1 2349/4885SGK1 3735/4885ITK 3799/4885

“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.