SCHEMBL29314408

SCHEMBL29314408

CC(=O)C1(Cn2cc3c(n2)c(N)nc2cc(-c4cc[nH]n4)ccc23)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
NLRP3 Q96P20 3/20 0.32
DHFR P00374 1/20 0.31
PIM1 P11309 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
SCHEMBL26792201 0.93 TLR8 (0.34) TLR8TLR7PIM1
SCHEMBL29315533 0.82 MPO (0.38) TLR8TLR7NLRP3DHFRPIM1
SCHEMBL26792311 0.81 CCNC (0.34) TLR8TLR7
SCHEMBL29320192 0.81 TLR7 (0.39) TLR8TLR7NLRP3DHFR
SCHEMBL23037726 0.80 TLR8 (0.39) TLR8TLR7NLRP3DHFR
SCHEMBL30539815 0.80 TLR8 (0.39) TLR8TLR7NLRP3DHFR
SCHEMBL23037675 0.80 TLR7 (0.46) TLR8TLR7NLRP3DHFR
SCHEMBL30539860 0.80 TLR7 (0.46) TLR8TLR7NLRP3DHFR
SCHEMBL29314761 0.80 TLR7 (0.42) TLR8TLR7NLRP3
SCHEMBL29314416 0.79 TLR7 (0.37) TLR8TLR7NLRP3

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 1 patent. 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

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 TLR8 210/4885TLR7 236/4885NLRP3 1/4885

“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.