SCHEMBL29314566

SCHEMBL29314566

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCCOc3cccnc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
MAP4K4 O95819 1/20 0.35
PDPK1 O15530 2/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
DHFR P00374 1/20 0.32
DRD2 P14416 6/20 0.32
DRD3 P35462 6/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30

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
SCHEMBL30539896 0.90 TLR8 (0.49) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL23037701 0.90 TLR8 (0.49) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL29314609 0.87 TLR7 (0.42) TLR8TLR7DHFRNOS1NOS2
SCHEMBL29314557 0.86 TLR8 (0.41) TLR8TLR7MAP4K4ADORA3ADORA2A
SCHEMBL29314564 0.86 TLR7 (0.43) TLR8TLR7MAP4K4ADORA3ADORA2A
SCHEMBL29314559 0.85 TLR8 (0.41) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL23037652 0.84 TLR8 (0.45) TLR8TLR7MAP4K4ADORA3ADORA2A
SCHEMBL29314851 0.83 ADORA3 (0.36) TLR8TLR7DHFRADORA3ADORA2A
SCHEMBL29314561 0.83 TLR8 (0.45) TLR8TLR7DHFRADORA3ADORA2A
SCHEMBL23037627 0.83 TLR8 (0.47) TLR8TLR7ADORA3ADORA2AADORA1

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 236/4885MAP4K4 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.