SCHEMBL23905435

SCHEMBL23905435

Cc1cc(-c2c(C3CCOCC3)nc(Oc3ccc4c(c3)C(=O)NC4)c3cc4[nH]ncc4cc23)ccn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.38
CHRM4 P08173 1/20 0.34
LRRK2 Q5S007 2/20 0.34
DRD1 P21728 10/20 0.33
TBK1 Q9UHD2 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
MTOR P42345 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
SCHEMBL23905409 0.84 PDE10A (0.38) MAPK1LRRK2DRD1TLR9TLR8
SCHEMBL23906404 0.84 DRD1 (0.34) MAPK1LRRK2DRD1TLR9TLR8
SCHEMBL23905413 0.83 TGFBR1 (0.35) LRRK2DRD1TLR9TLR8TLR7
SCHEMBL23905431 0.83 TGFBR1 (0.42) LRRK2DRD1TLR9TLR8TLR7
SCHEMBL23906406 0.83 PDE10A (0.35) MAPK1LRRK2DRD1TLR9TLR8
SCHEMBL23906407 0.83 PDE10A (0.35) MAPK1LRRK2DRD1TLR9TLR8
SCHEMBL23905410 0.83 PDE10A (0.38) MAPK1LRRK2DRD1TLR9TLR8
SCHEMBL23906408 0.82 MMP12 (0.35) MAPK1LRRK2DRD1TLR9TLR8
SCHEMBL23905412 0.82 GCK (0.37) MAPK1LRRK2DRD1TLR9TLR8
SCHEMBL23905430 0.81 PDE10A (0.38) MAPK1DRD1TLR9TLR8TLR7

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 MAPK1 1660/4885CHRM4 3336/4885LRRK2 4152/4885

“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.