SCHEMBL29314654

SCHEMBL29314654

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCNC(=O)c3cccc(F)n3)nc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
NAMPT P43490 4/20 0.33
HTR1A P08908 2/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
DRD3 P35462 2/20 0.33
ERN1 O75460 1/20 0.33
MAP4K4 O95819 5/20 0.32
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
KLKB1 P03952 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
WNT1 P04628 2/20 0.30
DYRK1A Q13627 2/20 0.30
SCN9A Q15858 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 0.91 TLR8 (0.36) TLR8TLR7NAMPTHTR1ADRD3
SCHEMBL29320594 0.91 TLR8 (0.35) TLR8TLR7NAMPTERN1MAP4K4
SCHEMBL29314709 0.90 IRAK4 (0.41)
SCHEMBL29320623 0.90 TLR7 (0.36) TLR8TLR7NAMPTERN1MAP4K4
SCHEMBL29320641 0.89 TLR8 (0.35) TLR8TLR7NAMPTHTR1ADRD3
SCHEMBL29320279 0.88 KDM4E (0.38) TLR8TLR7DRD2ADORA3
SCHEMBL29314707 0.88 NAMPT (0.33) TLR8TLR7NAMPTMAP4K4ABL1
SCHEMBL29314679 0.88 P2RX7 (0.35) TLR8TLR7NAMPTMAP4K4
SCHEMBL29314687 0.88 NAMPT (0.39) TLR8TLR7NAMPTMAP4K4ABL1
SCHEMBL23037521 0.87 NAMPT (0.37) TLR8TLR7NAMPTMAP4K4ABL1

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 236/4885NAMPT 122/4885

“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.