SCHEMBL29314655

SCHEMBL29314655

Cc1nc(C(=O)NCCn2cc3c(n2)c(N)nc2cc(-c4cc[nH]n4)ccc23)ccc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
SRC P12931 1/20 0.32
MAPK14 Q16539 1/20 0.32
NAMPT P43490 1/20 0.32
KDR P35968 1/20 0.31
PIK3CA P42336 1/20 0.31
KLKB1 P03952 1/20 0.31
SCN9A Q15858 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 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
SCHEMBL29314642 0.87 TLR8 (0.36) TLR8TLR7IRAK4ABL1BCR
SCHEMBL29314709 0.87 IRAK4 (0.41) IRAK4
SCHEMBL29314664 0.86 SCN9A (0.39) SCN9A
SCHEMBL29314715 0.85 MAPT (0.36) TLR8TLR7ABL1BCRNAMPT
SCHEMBL29314643 0.85 TLR8 (0.34) TLR8TLR7ABL1BCRNAMPT
SCHEMBL29314637 0.85 TLR7 (0.35) TLR8TLR7ABL1BCRNAMPT
SCHEMBL29314707 0.84 NAMPT (0.33) TLR8TLR7IRAK4ABL1BCR
SCHEMBL29314645 0.84 TLR7 (0.35) TLR8TLR7NAMPTALDH1A1GAA
SCHEMBL29314654 0.84 TLR8 (0.35) TLR8TLR7ABL1BCRNAMPT
SCHEMBL23037521 0.84 NAMPT (0.37) TLR8TLR7ABL1BCRNAMPT

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 236/4885IRAK4 15/4885

“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.