SCHEMBL29314668

SCHEMBL29314668

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.35
MAP4K4 O95819 3/20 0.33
ADORA2A P29274 1/20 0.32
EGLN2 Q96KS0 3/20 0.32
EGLN1 Q9GZT9 3/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
WNT1 P04628 3/20 0.31
DYRK1A Q13627 2/20 0.31
GRM4 Q14833 1/20 0.31

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
SCHEMBL29314700 0.93 NAMPT (0.33) NAMPTMAP4K4TLR8TLR7ABL1
SCHEMBL29314710 0.91 NAMPT (0.33) NAMPTMAP4K4TLR8TLR7DYRK1A
SCHEMBL29314649 0.89 WNT1 (0.34) NAMPTMAP4K4ADORA2ATLR8TLR7
SCHEMBL23037521 0.89 NAMPT (0.37) NAMPTMAP4K4TLR8TLR7ABL1
SCHEMBL30539908 0.89 NAMPT (0.37) NAMPTMAP4K4TLR8TLR7ABL1
SCHEMBL29314632 0.87 ABL1 (0.45) NAMPTMAP4K4ABL1BCR
SCHEMBL29314651 0.85 NAMPT (0.36) NAMPTMAP4K4TLR8TLR7ABL1
SCHEMBL29314682 0.85 TLR8 (0.37) NAMPTTLR8TLR7
SCHEMBL29314687 0.85 NAMPT (0.39) NAMPTMAP4K4ADORA2ATLR8TLR7
SCHEMBL29320672 0.84 TLR8 (0.37) NAMPTMAP4K4TLR8TLR7WNT1

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 122/4885MAP4K4 2159/4885ADORA2A 459/4885

“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.