SCHEMBL29314757

SCHEMBL29314757

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCCNC(=O)c3ccccn3)nc12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.37
CFTR P13569 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL29320279 0.95 KDM4E (0.38) TLR8TLR7SMN1; SMN2CFTRMEN1
SCHEMBL30539791 0.89 KDM4E (0.38) SMN1; SMN2ALDH1A1CFTRMEN1KMT2A
SCHEMBL23037683 0.89 KDM4E (0.38) SMN1; SMN2ALDH1A1CFTRMEN1KMT2A
SCHEMBL30539907 0.89 TLR7 (0.44) TLR8TLR7SMN1; SMN2ALDH1A1
SCHEMBL23037631 0.89 TLR7 (0.44) TLR8TLR7SMN1; SMN2ALDH1A1
SCHEMBL29314760 0.88 NAMPT (0.36) TLR8TLR7
SCHEMBL29320672 0.86 TLR8 (0.37) TLR8TLR7
SCHEMBL29314663 0.86 KDR (0.34) TLR8TLR7MEN1KMT2A
SCHEMBL29314761 0.85 TLR7 (0.42) TLR8TLR7
SCHEMBL29320594 0.85 TLR8 (0.35) TLR8TLR7

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 236/4885SMN1; SMN2 4781/4885

“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.