SCHEMBL29314637

SCHEMBL29314637

Cc1cc(C(=O)NCCn2cc3c(n2)c(N)nc2cc(-c4cc[nH]n4)ccc23)nn1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.35
TLR8 Q9NR97 1/20 0.35
ROCK1 Q13464 1/20 0.34
BAZ2B Q9UIF8 1/20 0.33
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NAMPT P43490 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
HTT P42858 1/20 0.31
DRD5 P21918 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CSNK1D P48730 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
SCHEMBL29314642 0.88 TLR8 (0.36) TLR7TLR8NAMPTABL1BCR
SCHEMBL29314685 0.88 TLR8 (0.34) TLR7TLR8NAMPTABL1BCR
SCHEMBL29314715 0.88 MAPT (0.36) TLR7TLR8NAMPTABL1BCR
SCHEMBL29314643 0.88 TLR8 (0.34) TLR7TLR8NAMPTABL1BCR
SCHEMBL29314633 0.88 HIF1A (0.36) TLR7TLR8KDM4ENPC1RAB9A
SCHEMBL29314648 0.88 TLR8 (0.34) TLR7TLR8NPC1RAB9ANAMPT
SCHEMBL23037710 0.87 TLR7 (0.40) TLR7TLR8NAMPT
SCHEMBL29314704 0.87 NAMPT (0.35) TLR7TLR8NAMPT
SCHEMBL29314631 0.87 ABL1 (0.45) TLR7TLR8KDM4ERAB9ANAMPT
SCHEMBL29320192 0.87 TLR7 (0.39) TLR7TLR8NAMPT

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 TLR7 236/4885TLR8 210/4885ROCK1 2936/4885

“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.