SCHEMBL29314700

SCHEMBL29314700

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCNC(=O)c3ncc(Cl)cc3F)nc12

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
BACE1 P56817 2/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
DYRK1A Q13627 4/20 0.32
WNT1 P04628 3/20 0.32
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
ATR Q13535 1/20 0.31
MAP4K4 O95819 1/20 0.31
GSK3B P49841 1/20 0.31
KLKB1 P03952 3/20 0.31
MET P08581 3/20 0.30
MAPK1 P28482 2/20 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
SCHEMBL29314668 0.93 NAMPT (0.35) NAMPTTLR8TLR7DYRK1AWNT1
SCHEMBL29314710 0.90 NAMPT (0.33) NAMPTTLR8TLR7DYRK1AMAP4K4
SCHEMBL29314649 0.88 WNT1 (0.34) NAMPTTLR8TLR7DYRK1AWNT1
SCHEMBL29314678 0.88 MAOB (0.38) NAMPTTLR8TLR7
SCHEMBL29314707 0.87 NAMPT (0.33) NAMPTTLR8TLR7ABL1BCR
SCHEMBL23037521 0.86 NAMPT (0.37) NAMPTTLR8TLR7ABL1BCR
SCHEMBL30539908 0.86 NAMPT (0.37) NAMPTTLR8TLR7ABL1BCR
SCHEMBL29314711 0.85 TLR8 (0.34) NAMPTTLR8TLR7BACE1DYRK1A
SCHEMBL29314663 0.84 KDR (0.34) NAMPTTLR8TLR7BACE1KLKB1
SCHEMBL29314682 0.84 TLR8 (0.37) NAMPTTLR8TLR7

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 NAMPT 122/4885TLR8 210/4885TLR7 236/4885

“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.