SCHEMBL29314656

SCHEMBL29314656

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCNC(=O)c3cc(CO)ccn3)nc12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.33
KLK1 P06870 2/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
SCN9A Q15858 1/20 0.32
NAMPT P43490 1/20 0.32
S1PR1 P21453 1/20 0.31
MAP4K4 O95819 1/20 0.31
MAPT P10636 1/20 0.30
NEK1 Q96PY6 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
SCHEMBL29314651 0.91 NAMPT (0.36) TLR8TLR7SCN9ANAMPTMAP4K4
SCHEMBL29314663 0.91 KDR (0.34) KLKB1KLK1TLR8TLR7NAMPT
SCHEMBL29320279 0.89 KDM4E (0.38) TLR8TLR7
SCHEMBL29314696 0.88 BACE1 (0.38) MAPT
SCHEMBL29314643 0.88 TLR8 (0.34) KLKB1TLR8TLR7NAMPTMAPT
SCHEMBL29314683 0.87 ADORA3 (0.35) TLR8TLR7NAMPTMAP4K4MAPT
SCHEMBL29314717 0.87 ADORA3 (0.35) TLR8TLR7NAMPTMAP4K4
SCHEMBL29320672 0.86 TLR8 (0.37) KLKB1TLR8TLR7NAMPTMAP4K4
SCHEMBL29320666 0.86 TLR8 (0.33) TLR8TLR7NAMPT
SCHEMBL29314704 0.86 NAMPT (0.35) KLKB1TLR8TLR7NAMPTMAP4K4

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 KLKB1 508/4885KLK1 845/4885TLR8 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.