SCHEMBL29057286

SCHEMBL29057286

CCC(=O)NCCn1cc2c(n1)c(N)nc1cc(-c3cc[nH]n3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.40
TLR8 Q9NR97 3/20 0.40
NAMPT P43490 3/20 0.33
MTNR1A P48039 6/20 0.33
MTNR1B P49286 6/20 0.33
NLRP3 Q96P20 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32
HTT P42858 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
AURKA O14965 1/20 0.31
PDPK1 O15530 1/20 0.31
TGFBR1 P36897 1/20 0.31
AURKB Q96GD4 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 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
SCHEMBL29057282 0.94 TLR7 (0.42) TLR7TLR8NAMPTMTNR1AMTNR1B
SCHEMBL29320220 0.92 TLR8 (0.37) TLR7TLR8NAMPT
SCHEMBL29320192 0.91 TLR7 (0.39) TLR7TLR8NAMPTMTNR1AMTNR1B
SCHEMBL23037710 0.90 TLR7 (0.40) TLR7TLR8NAMPTNLRP3
SCHEMBL29322691 0.89 TLR8 (0.35) TLR7TLR8NAMPT
SCHEMBL29320204 0.89 TLR7 (0.38) TLR7TLR8NAMPTNLRP3KDM4E
SCHEMBL23037589 0.89 TLR8 (0.38) TLR7TLR8NAMPTNLRP3AURKB
SCHEMBL30539846 0.89 TLR8 (0.38) TLR7TLR8NAMPTNLRP3AURKB
SCHEMBL30539861 0.88 TLR7 (0.43) TLR7TLR8NLRP3
SCHEMBL29314416 0.88 TLR7 (0.37) TLR7TLR8NLRP3KDM4EAURKA

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 3 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
CN-112521387-B NLRP3 modulators 先天肿瘤免疫公司 2023-08-22 CN 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 TLR7 236/4885TLR8 210/4885NAMPT 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.