SCHEMBL29314760

SCHEMBL29314760

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.36
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
HDAC6 Q9UBN7 7/20 0.34
HDAC3 O15379 6/20 0.34
HDAC4 P56524 6/20 0.34
HDAC1 Q13547 6/20 0.34
HDAC7 Q8WUI4 6/20 0.34
HDAC2 Q92769 6/20 0.34
HDAC10 Q969S8 6/20 0.34
HDAC11 Q96DB2 6/20 0.34
HDAC8 Q9BY41 6/20 0.34
HDAC9 Q9UKV0 6/20 0.34
HDAC5 Q9UQL6 6/20 0.34
MAPT P10636 2/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
MAP4K4 O95819 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
SCHEMBL23037521 0.95 NAMPT (0.37) NAMPTTLR8TLR7HDAC6HDAC3
SCHEMBL30539908 0.95 NAMPT (0.37) NAMPTTLR8TLR7HDAC6HDAC3
SCHEMBL26783689 0.89 NAMPT (0.36) NAMPTHDAC6HDAC3HDAC4HDAC1
SCHEMBL29314757 0.88 TLR8 (0.40) TLR8TLR7
SCHEMBL29314678 0.87 MAOB (0.38) NAMPTTLR8TLR7MAPT
SCHEMBL29314715 0.86 MAPT (0.36) NAMPTTLR8TLR7MAPTABL1
SCHEMBL29314664 0.86 SCN9A (0.39)
SCHEMBL29314671 0.85 BACE1 (0.35) NAMPTMAPT
SCHEMBL29314661 0.85 CFTR (0.40) NAMPTTLR8TLR7MAPT
SCHEMBL23037613 0.85 NTRK1 (0.35) NAMPT

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 122/4885TLR8 210/4885TLR7 236/4885

“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.