SCHEMBL29322778

SCHEMBL29322778

NC(=O)CCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.47
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
MPO P05164 1/20 0.38
JAK2 O60674 1/20 0.37
MAP2 P11137 1/20 0.34
CHEK1 O14757 2/20 0.33
AKT1 P31749 1/20 0.33
CD74 P04233 1/20 0.33
MIF P14174 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LTA4H P09960 1/20 0.32
ALOX5 P09917 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL29322792 0.90 NLRP3 (0.49) NLRP3TLR8TLR7MPOJAK2
SCHEMBL29322799 0.87 NLRP3 (0.48) NLRP3TLR8TLR7JAK2CHEK1
SCHEMBL29322759 0.86 TLR8 (0.53) NLRP3TLR8TLR7JAK2CHEK1
SCHEMBL29322746 0.85 TLR8 (0.60) NLRP3TLR8TLR7JAK2AKT1
SCHEMBL29315292 0.83 NLRP3 (0.49) NLRP3TLR8TLR7JAK2CHEK1
SCHEMBL29322768 0.83 NLRP3 (0.53) NLRP3TLR8TLR7JAK2CHEK1
SCHEMBL29322740 0.83 NLRP3 (0.47) NLRP3TLR8TLR7JAK2AKT1
SCHEMBL29325663 0.81 NLRP3 (0.47) NLRP3TLR8TLR7JAK2AKT1
SCHEMBL29325656 0.81 NLRP3 (0.49) NLRP3TLR8TLR7JAK2
SCHEMBL29322795 0.81 NLRP3 (0.46) NLRP3TLR8TLR7JAK2CHEK1

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 NLRP3 1/4885TLR8 210/4885TLR7 236/4885

“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.