SCHEMBL29314719

SCHEMBL29314719

Cc1csc(C(=O)NCCn2cc3c(n2)c(N)nc2cc(-c4cc[nH]n4)ccc23)n1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
NAMPT P43490 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ABL1 P00519 1/20 0.30
BCR P11274 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 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
SCHEMBL29314633 0.88 HIF1A (0.36) HDAC3HDAC1TLR8TLR7NAMPT
SCHEMBL29314720 0.87 HRH3 (0.34) HDAC3HDAC1TLR8TLR7NAMPT
SCHEMBL23037710 0.86 TLR7 (0.40) TLR8TLR7NAMPT
SCHEMBL29314631 0.86 ABL1 (0.45) TLR8TLR7NAMPTKDM4ENPSR1
SCHEMBL29320192 0.85 TLR7 (0.39) TLR8TLR7NAMPT
SCHEMBL29314642 0.85 TLR8 (0.36) TLR8TLR7NAMPTABL1BCR
SCHEMBL30539846 0.85 TLR8 (0.38) TLR8TLR7NAMPTABL1BCR
SCHEMBL23037589 0.85 TLR8 (0.38) TLR8TLR7NAMPTABL1BCR
SCHEMBL29314648 0.85 TLR8 (0.34) TLR8TLR7NAMPTNPSR1
SCHEMBL29314706 0.85 TLR8 (0.34) TLR8TLR7NAMPTKDM4ENPSR1

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 HDAC3 976/4885HDAC1 630/4885TLR8 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.