SCHEMBL29314671

SCHEMBL29314671

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCNC(=O)c3ccc(OC(F)(F)F)cn3)nc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.35
BACE2 Q9Y5Z0 4/20 0.35
MAPT P10636 2/20 0.34
KLKB1 P03952 2/20 0.34
GCGR P47871 4/20 0.33
NAMPT P43490 1/20 0.33
SCN10A Q9Y5Y9 2/20 0.33
SCN2A Q99250 1/20 0.33
SCN9A Q15858 4/20 0.32
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL29314661 0.91 CFTR (0.40) BACE1BACE2MAPTNAMPT
SCHEMBL29314664 0.91 SCN9A (0.39) SCN10ASCN9A
SCHEMBL23037521 0.90 NAMPT (0.37) MAPTNAMPTSCN9A
SCHEMBL30539908 0.90 NAMPT (0.37) MAPTNAMPTSCN9A
SCHEMBL29314678 0.89 MAOB (0.38) MAPTGCGRNAMPT
SCHEMBL29314715 0.88 MAPT (0.36) MAPTKLKB1NAMPT
SCHEMBL29314658 0.88 KLKB1 (0.36) MAPTKLKB1
SCHEMBL29314666 0.86 EGLN1 (0.35) BACE1BACE2MAPTNAMPTSCN9A
SCHEMBL29314760 0.85 NAMPT (0.36) MAPTNAMPT
SCHEMBL26783893 0.85 CFTR (0.40) BACE1BACE2MAPTGCGR

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 BACE1 406/4885BACE2 1496/4885MAPT 1593/4885

“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.