SCHEMBL29314606

SCHEMBL29314606

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCC(=O)Nc3ccccc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.43
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
TP53 P04637 1/20 0.37
ADORA3 P0DMS8 8/20 0.36
ADORA2A P29274 8/20 0.36
ADORA1 P30542 8/20 0.36
ADORA2B P29275 1/20 0.36
TERT O14746 4/20 0.35
PTPN11 Q06124 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DHODH Q02127 1/20 0.34

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
SCHEMBL23037716 0.88 TLR8 (0.40) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL29315509 0.88 TLR7 (0.39) TGFBR1TLR8TLR7MAPT
SCHEMBL23037710 0.83 TLR7 (0.40) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL29320239 0.83 TLR7 (0.41) TLR8TLR7MEN1NPC1MAPT
SCHEMBL30539925 0.83 TLR7 (0.42) TLR8TLR7
SCHEMBL29057282 0.82 TLR7 (0.42) TLR8TLR7MAPT
SCHEMBL29320220 0.82 TLR8 (0.37) TLR8TLR7
SCHEMBL23037631 0.82 TLR7 (0.44) TLR8TLR7MAPT
SCHEMBL27194816 0.82 TLR8 (0.40) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL30539861 0.81 TLR7 (0.43) TLR8TLR7

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 2 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

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 TGFBR1 2421/4885TLR8 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.