SCHEMBL29314706

SCHEMBL29314706

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCNC(=O)c3csc(Cl)n3)nc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
NAMPT P43490 1/20 0.32
SRC P12931 2/20 0.31
MAP4K4 O95819 2/20 0.31
YES1 P07947 1/20 0.31
PDGFRB P09619 1/20 0.31
EPHB4 P54760 1/20 0.31
LIMK1 P53667 1/20 0.30
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HPGDS O60760 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL23037706 0.94 SRC (0.31) NAMPTSRCMAP4K4YES1PDGFRB
SCHEMBL29314633 0.91 HIF1A (0.36) TLR8TLR7NAMPTSRCYES1
SCHEMBL29314867 0.89 PAICS (0.33) TLR8TLR7NAMPT
SCHEMBL29314701 0.89 HDAC3 (0.38) TLR8TLR7MEN1KMT2A
SCHEMBL29314663 0.88 KDR (0.34) TLR8TLR7NAMPTMEN1KMT2A
SCHEMBL29320279 0.88 KDM4E (0.38) TLR8TLR7KDM4EMEN1KMT2A
SCHEMBL29314717 0.87 ADORA3 (0.35) TLR8TLR7NAMPTMAP4K4
SCHEMBL29314678 0.87 MAOB (0.38) TLR8TLR7NAMPT
SCHEMBL29320594 0.87 TLR8 (0.35) TLR8TLR7NAMPTMAP4K4
SCHEMBL29320666 0.86 TLR8 (0.33) TLR8TLR7NAMPT

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 236/4885NAMPT 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.