SCHEMBL29314561

SCHEMBL29314561

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCCOc3ccccc3F)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
MAPK1 P28482 1/20 0.37
MAPT P10636 2/20 0.36
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TTR P02766 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SCN9A Q15858 1/20 0.33
CYBB P04839 1/20 0.32
NCF1 P14598 1/20 0.32
HTR2C P28335 1/20 0.32
HCAR2 Q8TDS4 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
SCHEMBL29314559 0.89 TLR8 (0.41) TLR8TLR7MAPTADORA3ADORA2A
SCHEMBL23037701 0.88 TLR8 (0.49) TLR8TLR7MAPTADORA3ADORA2A
SCHEMBL30539896 0.88 TLR8 (0.49) TLR8TLR7MAPTADORA3ADORA2A
SCHEMBL29314557 0.86 TLR8 (0.41) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL23037627 0.86 TLR8 (0.47) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL23037652 0.86 TLR8 (0.45) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL23037723 0.84 TLR8 (0.47) TLR8TLR7MAPK1ADORA3ADORA2A
SCHEMBL23037577 0.84 TLR8 (0.43) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL23037675 0.83 TLR7 (0.46) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL30539860 0.83 TLR7 (0.46) TLR8TLR7ADORA3ADORA2AADORA1

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-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US disclosed
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 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-12037344-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD TLR8 210/4885TLR7 236/4885MAPK1 1645/4885

“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.