SCHEMBL25544951

SCHEMBL25544951

Cc1ccc2c(-c3ccnc(C)c3)c(C3CCOCC3)c(O)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.36
TLR9 Q9NR96 7/20 0.35
TLR8 Q9NR97 7/20 0.35
TLR7 Q9NYK1 7/20 0.35
IRAK4 Q9NWZ3 6/20 0.35
IRAK1 P51617 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
GRM4 Q14833 1/20 0.33
TGFBR1 P36897 1/20 0.32
MAPK1 P28482 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
SCHEMBL23887762 0.88 DYRK1A (0.40) PDE2ATLR8IRAK4PIK3CDPIK3CA
SCHEMBL25544956 0.87 TLR9 (0.35) PDE2ATLR9TLR8TLR7IRAK4
SCHEMBL25544311 0.83 GRM2 (0.41) PDE2A
SCHEMBL25544957 0.81 PIK3CD (0.38) PDE2ATLR9TLR8TLR7IRAK4
SCHEMBL28974868 0.77 PIK3CD (0.36) PDE2AIRAK4IRAK1PIK3CDPIK3CA
SCHEMBL23887857 0.76 DYRK1A (0.40) TLR9TLR8TLR7PIK3CDPIK3CA
SCHEMBL25544952 0.75 PIK3CA (0.40) PIK3CDPIK3CA
SCHEMBL25544713 0.75 PDE2A (0.37) PDE2ATLR9TLR8TLR7IRAK4
SCHEMBL23895975 0.73 PIK3CA (0.40) PDE2ATLR9TLR8TLR7IRAK4
SCHEMBL23895721 0.73 TOP1 (0.37) PDE2ATLR9TLR8TLR7PIK3CD

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 PDE2A 1868/4885TLR9 4766/4885TLR8 2667/4885

“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.