SCHEMBL29314559

SCHEMBL29314559

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCCOc3ccc(F)cc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
CXCR1 P25024 2/20 0.33
NSD2 O96028 1/20 0.32
NSD3 Q9BZ95 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
KCNH2 Q12809 1/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 2/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NCF1 P14598 2/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL30539896 0.91 TLR8 (0.49) TLR8TLR7MEN1MAPTKMT2A
SCHEMBL23037701 0.91 TLR8 (0.49) TLR8TLR7MEN1MAPTKMT2A
SCHEMBL29314557 0.91 TLR8 (0.41) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL29314561 0.89 TLR8 (0.45) TLR8TLR7MAPTADORA3ADORA2A
SCHEMBL29314564 0.85 TLR7 (0.43) TLR8TLR7MAPTKMT2AADORA3
SCHEMBL29314566 0.85 TLR8 (0.41) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL23037627 0.85 TLR8 (0.47) TLR8TLR7KCNH2ADORA3ADORA2A
SCHEMBL23037675 0.84 TLR7 (0.46) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL30539860 0.84 TLR7 (0.46) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL23037652 0.83 TLR8 (0.45) 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 236/4885CXCR1 783/4885

“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.