SCHEMBL29320641

SCHEMBL29320641

COc1cccc(C(=O)NCCn2cc3c(n2)c(N)nc2cc(-c4cc[nH]n4)ccc23)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
IRAK4 Q9NWZ3 4/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
MAP4K4 O95819 3/20 0.32
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
DRD3 P35462 1/20 0.32
TAS2R8 Q9NYW2 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
NAMPT P43490 4/20 0.32
ERN1 O75460 1/20 0.32
CBLB Q13191 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
FLT3 P36888 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
SCHEMBL29320623 0.92 TLR7 (0.36) TLR8TLR7MAP4K4ADORA3ADORA2A
SCHEMBL29314642 0.91 TLR8 (0.36) TLR8TLR7IRAK4MAP4K4HTR1A
SCHEMBL29314645 0.91 TLR7 (0.35) TLR8TLR7NAMPTMTNR1AMTNR1B
SCHEMBL29314654 0.89 TLR8 (0.35) TLR8TLR7MAP4K4HTR1ADRD3
SCHEMBL29320594 0.89 TLR8 (0.35) TLR8TLR7IRAK4MAP4K4ADORA2A
SCHEMBL29314709 0.87 IRAK4 (0.41) IRAK4FLT3
SCHEMBL29320279 0.87 KDM4E (0.38) TLR8TLR7ADORA3
SCHEMBL29314690 0.86 RAB9A (0.42) IRAK4MAP4K4ADORA3ADORA2AADORA1
SCHEMBL29314679 0.86 P2RX7 (0.35) TLR8TLR7MAP4K4NAMPT
SCHEMBL29314637 0.85 TLR7 (0.35) TLR8TLR7CSNK1DCSNK1ENAMPT

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 1 patent. 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

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.