SCHEMBL29314710

SCHEMBL29314710

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.33
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
SCN9A Q15858 4/20 0.31
CFTR P13569 1/20 0.31
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
MAP4K4 O95819 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
SCHEMBL29314668 0.91 NAMPT (0.35) NAMPTDYRK1ATLR8TLR7MAP4K4
SCHEMBL29314700 0.90 NAMPT (0.33) NAMPTGSK3BDYRK1ATLR8TLR7
SCHEMBL29314664 0.88 SCN9A (0.39) SCN9A
SCHEMBL29314649 0.87 WNT1 (0.34) NAMPTDYRK1ATLR8TLR7MAP4K4
SCHEMBL23037521 0.83 NAMPT (0.37) NAMPTSCN9ATLR8TLR7MAP4K4
SCHEMBL30539908 0.83 NAMPT (0.37) NAMPTSCN9ATLR8TLR7MAP4K4
SCHEMBL29314674 0.83 ALDH1A1 (0.36) NAMPTGSK3BDYRK1ATLR8TLR7
SCHEMBL29314682 0.83 TLR8 (0.37) NAMPTTLR8TLR7
SCHEMBL29314632 0.83 ABL1 (0.45) NAMPTMAP4K4
SCHEMBL29320672 0.82 TLR8 (0.37) NAMPTDYRK1ATLR8TLR7MAP4K4

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 122/4885GSK3B 815/4885DYRK1A 4867/4885

“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.