SCHEMBL29314742

SCHEMBL29314742

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCNCc3cccnc3)nc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CDK2 P24941 4/20 0.34
CCNE1 P24864 2/20 0.34
NOS1 P29475 2/20 0.34
CHRM2 P08172 1/20 0.33
CLK1 P49759 2/20 0.33
DYRK1A Q13627 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
MAP4K4 O95819 1/20 0.32
MKNK2 Q9HBH9 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
SCHEMBL29314737 0.91 TLR7 (0.43) TLR8TLR7CDK2DYRK1AMAP4K4
SCHEMBL29314609 0.87 TLR7 (0.42) TLR8TLR7NOS1NOS3NOS2
SCHEMBL29314851 0.87 ADORA3 (0.36) TLR8TLR7CDK2NOS1DYRK1A
SCHEMBL29314735 0.87 ADORA3 (0.37) TLR8TLR7NOS1NOS3NOS2
SCHEMBL29314736 0.86 TLR7 (0.36) TLR8TLR7MAP4K4
SCHEMBL29314743 0.84 TLR8 (0.39) TLR8TLR7NOS1CHRM2NOS3
SCHEMBL29321163 0.84 ROCK1 (0.38) TLR8TLR7
SCHEMBL29320261 0.83 TLR8 (0.39) TLR8TLR7DYRK1ACYP1A2
SCHEMBL23037575 0.83 TLR8 (0.41) TLR8TLR7NOS1CHRM2NOS3
SCHEMBL30539889 0.83 TLR8 (0.41) TLR8TLR7NOS1CHRM2NOS3

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 TLR8 210/4885TLR7 236/4885CDK2 2854/4885

“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.