SCHEMBL29314564

SCHEMBL29314564

Cc1cccc(OCCCn2cc3c(n2)c(N)nc2cc(-c4cc[nH]n4)ccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.43
TLR8 Q9NR97 1/20 0.43
ADORA3 P0DMS8 3/20 0.40
ADORA2A P29274 3/20 0.40
ADORA1 P30542 3/20 0.40
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAP4K4 O95819 1/20 0.35
AR P10275 1/20 0.35
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL30539896 0.90 TLR8 (0.49) TLR7TLR8ADORA3ADORA2AADORA1
SCHEMBL23037701 0.90 TLR8 (0.49) TLR7TLR8ADORA3ADORA2AADORA1
SCHEMBL29314557 0.90 TLR8 (0.41) TLR7TLR8ADORA3ADORA2AADORA1
SCHEMBL29314566 0.86 TLR8 (0.41) TLR7TLR8ADORA3ADORA2AADORA1
SCHEMBL29314559 0.85 TLR8 (0.41) TLR7TLR8ADORA3ADORA2AADORA1
SCHEMBL23037652 0.83 TLR8 (0.45) TLR7TLR8ADORA3ADORA2AADORA1
SCHEMBL29314561 0.83 TLR8 (0.45) TLR7TLR8ADORA3ADORA2AADORA1
SCHEMBL23037627 0.83 TLR8 (0.47) TLR7TLR8ADORA3ADORA2AADORA1
SCHEMBL23037675 0.82 TLR7 (0.46) TLR7TLR8ADORA3ADORA2AADORA1
SCHEMBL30539860 0.82 TLR7 (0.46) TLR7TLR8ADORA3ADORA2AADORA1

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 TLR7 236/4885TLR8 210/4885ADORA3 956/4885

“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.