SCHEMBL29314485

SCHEMBL29314485

Cc1nc(C(=O)NCCc2cc3c(N)nc4cc(-c5cc[nH]n5)ccc4c3[nH]2)co1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.36
TLR9 Q9NR96 11/20 0.34
TLR8 Q9NR97 11/20 0.34
TLR7 Q9NYK1 11/20 0.34
DHFR P00374 3/20 0.31
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
TP53 P04637 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
SCHEMBL29314454 0.91 NAMPT (0.30) NAMPT
SCHEMBL29314482 0.86 HIF1A (0.42) NAMPTDHFRABL1BCR
SCHEMBL29315396 0.84 NAMPT (0.36) NAMPTDHFR
SCHEMBL29315466 0.84 NAMPT (0.35) NAMPTDHFR
SCHEMBL29314478 0.83 NAMPT (0.38) NAMPTDHFR
SCHEMBL29314480 0.83 DHFR (0.35) NAMPTDHFR
SCHEMBL29314461 0.83 NAMPT (0.36) NAMPTDHFRABL1BCR
SCHEMBL29325305 0.82 NAMPT (0.42) NAMPTABL1BCR
SCHEMBL29325284 0.82 NAMPT (0.40) NAMPTDHFRABL1BCR
SCHEMBL26783757 0.80 PAICS (0.32) NAMPTTLR9TLR8TLR7ABL1

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 122/4885TLR9 256/4885TLR8 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.