SCHEMBL29320239

SCHEMBL29320239

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCNC(=O)c3ccccc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.41
TLR8 Q9NR97 1/20 0.41
MAP4K4 O95819 3/20 0.37
PLK1 P53350 1/20 0.36
ALDH1A1 P00352 2/20 0.36
PKM P14618 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ATR Q13535 5/20 0.35
NAMPT P43490 1/20 0.35
AURKA O14965 1/20 0.35
PDPK1 O15530 1/20 0.35
AURKB Q96GD4 1/20 0.35
ABL1 P00519 4/20 0.35
BCR P11274 4/20 0.35
IKBKB O14920 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 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
SCHEMBL23037631 0.95 TLR7 (0.44) TLR7TLR8MAP4K4ALDH1A1KDM4E
SCHEMBL30539907 0.95 TLR7 (0.44) TLR7TLR8MAP4K4ALDH1A1KDM4E
SCHEMBL26783825 0.93 MAP4K4 (0.37) TLR7TLR8MAP4K4PLK1ALDH1A1
SCHEMBL29320251 0.92 NAMPT (0.36) TLR7TLR8MAP4K4NAMPTABL1
SCHEMBL29314631 0.92 ABL1 (0.45) TLR7TLR8ALDH1A1PKMKDM4E
SCHEMBL29314632 0.92 ABL1 (0.45) MAP4K4NAMPTABL1BCR
SCHEMBL29320261 0.91 TLR8 (0.39) TLR7TLR8GAAHPGDNAMPT
SCHEMBL29314693 0.91 MCHR1 (0.40) MAP4K4ALDH1A1POLBNAMPTMEN1
SCHEMBL29314687 0.91 NAMPT (0.39) TLR7TLR8MAP4K4PLK1KDM4E
SCHEMBL23037710 0.90 TLR7 (0.40) TLR7TLR8NAMPT

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 TLR7 236/4885TLR8 210/4885MAP4K4 2159/4885

“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.