SCHEMBL29322746

SCHEMBL29322746

CCCCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.60
TLR7 Q9NYK1 1/20 0.60
NLRP3 Q96P20 7/20 0.51
JAK2 O60674 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDR P35968 5/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
COMT P21964 1/20 0.34
AKT1 P31749 1/20 0.34
BRAF P15056 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL29322759 0.95 TLR8 (0.53) TLR8TLR7NLRP3JAK2CYP1A2
SCHEMBL29322768 0.90 NLRP3 (0.53) TLR8TLR7NLRP3JAK2CYP1A2
SCHEMBL29322799 0.89 NLRP3 (0.48) TLR8TLR7NLRP3JAK2NPC1
SCHEMBL29322786 0.88 NLRP3 (0.48) TLR8TLR7NLRP3JAK2CYP1A2
SCHEMBL29322740 0.88 NLRP3 (0.47) TLR8TLR7NLRP3JAK2CYP1A2
SCHEMBL29315292 0.86 NLRP3 (0.49) TLR8TLR7NLRP3JAK2NPC1
SCHEMBL29322778 0.85 NLRP3 (0.47) TLR8TLR7NLRP3JAK2AKT1
SCHEMBL29325663 0.84 NLRP3 (0.47) TLR8TLR7NLRP3JAK2NPC1
SCHEMBL29325656 0.84 NLRP3 (0.49) TLR8TLR7NLRP3JAK2
SCHEMBL29322795 0.83 NLRP3 (0.46) TLR8TLR7NLRP3JAK2NPC1

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 236/4885NLRP3 1/4885

“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.