SCHEMBL25544304

SCHEMBL25544304

Cc1ccc2c(-c3ccnc(C)c3)c(C3CCOCC3)nc([N+]34CCN(CC3)CC4)c2c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 10/20 0.38
TLR8 Q9NR97 10/20 0.38
TLR7 Q9NYK1 10/20 0.38
IRAK4 Q9NWZ3 1/20 0.34
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
SCD O00767 1/20 0.33
PDE2A O00408 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL25544287 0.85 PDE2A (0.33) TLR9TLR8TLR7PDE2A
SCHEMBL25544271 0.85 HPGD (0.32) PDE2A
SCHEMBL25544269 0.84 SLC9A1 (0.33) PDE2A
SCHEMBL23887752 0.84 CNR1 (0.36) TLR9TLR8TLR7
SCHEMBL25544712 0.82 TLR9 (0.36) TLR9TLR8TLR7IRAK4PDE2A
SCHEMBL25544722 0.80 ACHE (0.34) IRAK4
SCHEMBL25544713 0.76 PDE2A (0.37) TLR9TLR8TLR7IRAK4FABP4
SCHEMBL23895975 0.72 PIK3CA (0.40) TLR9TLR8TLR7IRAK4FABP4
SCHEMBL23887776 0.71 FFAR1 (0.37)
SCHEMBL25544710 0.71 PDE10A (0.38) TLR9TLR8TLR7IRAK4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US 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-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 TLR9 4766/4885TLR8 2667/4885TLR7 2356/4885

“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.