SCHEMBL25544747

SCHEMBL25544747

Cc1cc(-c2c(C3CCOCC3)nc(OC3CNC3)c3cc(O)ccc23)ccn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.38
TLR9 Q9NR96 5/20 0.35
TLR8 Q9NR97 5/20 0.35
TLR7 Q9NYK1 5/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
GRM4 Q14833 2/20 0.34
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34

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
SCHEMBL23896385 0.94 LRRK2 (0.37) LRRK2TLR9TLR8TLR7
SCHEMBL25545676 0.89 LRRK2 (0.36) LRRK2TLR9TLR8TLR7PIK3CD
SCHEMBL23896368 0.89 LRRK2 (0.36) LRRK2TLR9TLR8TLR7PIK3CD
SCHEMBL23896386 0.89 LRRK2 (0.36) LRRK2TLR9TLR8TLR7PIK3CD
SCHEMBL25557363 0.87 PIK3CD (0.38) LRRK2TLR9TLR8TLR7PIK3CD
SCHEMBL23887704 0.86 PDE10A (0.38) LRRK2TLR9TLR8TLR7GRM4
SCHEMBL25544101 0.86 PDE10A (0.38) LRRK2TLR9TLR8TLR7GRM4
SCHEMBL30121060 0.83 TLR9 (0.39) TLR9TLR8TLR7
SCHEMBL23896275 0.83 TLR9 (0.39) TLR9TLR8TLR7
SCHEMBL23887813 0.83 TLR9 (0.34) LRRK2TLR9TLR8TLR7GRM4

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-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
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 LRRK2 4608/4885TLR9 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.