SCHEMBL29314674

SCHEMBL29314674

Cc1nc(C(=O)NCCn2cc3c(n2)c(N)nc2cc(-c4cc[nH]n4)ccc23)c(C(F)(F)F)o1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
DDR1 Q08345 1/20 0.34
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
NAMPT P43490 1/20 0.31
DGAT1 O75907 2/20 0.31
FBP1 P09467 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
SCHEMBL29314673 0.90 TLR8 (0.34) TLR8TLR7NAMPT
SCHEMBL29314640 0.86 SMN1; SMN2 (0.35) ALDH1A1TLR8TLR7NAMPT
SCHEMBL29314655 0.83 TLR8 (0.33) ALDH1A1TLR8TLR7NAMPT
SCHEMBL29314685 0.83 TLR8 (0.34) TLR8TLR7GSK3BDYRK1ANAMPT
SCHEMBL23037710 0.83 TLR7 (0.40) TLR8TLR7NAMPT
SCHEMBL29314710 0.83 NAMPT (0.33) TLR8TLR7GSK3BDYRK1ANAMPT
SCHEMBL29314631 0.83 ABL1 (0.45) ALDH1A1TLR8TLR7NAMPT
SCHEMBL29320192 0.82 TLR7 (0.39) TLR8TLR7NAMPT
SCHEMBL27194825 0.82 NLRP3 (0.37) TLR8TLR7
SCHEMBL29322691 0.82 TLR8 (0.35) 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 ALDH1A1 843/4885DDR1 3210/4885TLR8 210/4885

“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.