SCHEMBL29314786

SCHEMBL29314786

CCCCOCCCc1nc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.52
TLR7 Q9NYK1 3/20 0.52
NLRP3 Q96P20 7/20 0.46
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
JAK2 O60674 1/20 0.35
TSHR P16473 2/20 0.35
GLA P06280 1/20 0.35
MCL1 Q07820 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EGFR P00533 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 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
SCHEMBL29322078 0.86 TLR8 (0.47) TLR8TLR7NLRP3CYP1A2CYP2C19
SCHEMBL29314789 0.84 TLR8 (0.47) TLR8TLR7NLRP3RAB9ANPC1
SCHEMBL23037646 0.82 NLRP3 (0.49) TLR8TLR7NLRP3CYP1A2CYP2C19
SCHEMBL30837706 0.82 NLRP3 (0.49) TLR8TLR7NLRP3CYP1A2CYP2C19
SCHEMBL23037642 0.81 NLRP3 (0.53) TLR8TLR7NLRP3CYP1A2CYP2C19
SCHEMBL23037574 0.75 NLRP3 (0.53) TLR8TLR7NLRP3CYP1A2
SCHEMBL1528038 0.73 TLR8 (0.71) TLR8TLR7CYP1A2CYP2C19RAB9A
SCHEMBL23037715 0.70 TLR8 (0.47) TLR8TLR7CYP3A4
SCHEMBL22249572 0.69 NLRP3 (0.69) NLRP3CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL1527949 0.69 TLR8 (1.00) TLR8TLR7CYP1A2CYP2C19RAB9A

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.