SCHEMBL29314683

SCHEMBL29314683

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCNC(=O)c3ccncn3)nc12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.35
MAPT P10636 2/20 0.35
NAMPT P43490 2/20 0.35
P2RX7 Q99572 1/20 0.35
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
MAP4K4 O95819 5/20 0.32
CSNK1D P48730 1/20 0.30
CSNK1E P49674 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
SCHEMBL29320279 0.90 KDM4E (0.38) ADORA3TLR8TLR7
SCHEMBL29314696 0.89 BACE1 (0.38) ADORA3MAPT
SCHEMBL29320251 0.89 NAMPT (0.36) NAMPTTLR8TLR7MAP4K4
SCHEMBL29314643 0.88 TLR8 (0.34) MAPTNAMPTTLR8TLR7
SCHEMBL29314663 0.88 KDR (0.34) MAPTNAMPTTLR8TLR7
SCHEMBL29314678 0.88 MAOB (0.38) MAPTNAMPTP2RX7TLR8TLR7
SCHEMBL29320672 0.87 TLR8 (0.37) ADORA3NAMPTTLR8TLR7MAP4K4
SCHEMBL23037521 0.87 NAMPT (0.37) MAPTNAMPTTLR8TLR7MAP4K4
SCHEMBL29314715 0.87 MAPT (0.36) MAPTNAMPTP2RX7TLR8TLR7
SCHEMBL29314651 0.87 NAMPT (0.36) MAPTNAMPTTLR8TLR7MAP4K4

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 ADORA3 956/4885MAPT 1593/4885NAMPT 122/4885

“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.