SCHEMBL26619906

SCHEMBL26619906

CCn1c([C@H]2CCCN(C(=O)O)C2)nc2c(N)nc3cc(Br)ccc3c21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.39
TLR8 Q9NR97 6/20 0.39
PROKR1 Q8TCW9 3/20 0.38
NLRP3 Q96P20 2/20 0.36
CACNA2D1 P54289 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL26619911 1.00 TLR7 (0.39) TLR7TLR8PROKR1NLRP3CACNA2D1
SCHEMBL29036543 0.88 TLR7 (0.41) TLR7TLR8PROKR1KDM4EALDH1A1
SCHEMBL26713456 0.88 TLR7 (0.41) TLR7TLR8PROKR1KDM4EALDH1A1
SCHEMBL30074855 0.88 TLR7 (0.41) TLR7TLR8PROKR1KDM4EALDH1A1
SCHEMBL26619945 0.86 PROKR1 (0.38) TLR7TLR8PROKR1KDM4EALDH1A1
SCHEMBL26619943 0.86 PROKR1 (0.38) TLR7TLR8PROKR1KDM4EALDH1A1
SCHEMBL26619957 0.84 PREP (0.37) PROKR1CACNA2D1KMT2A
SCHEMBL26619954 0.84 PREP (0.37) PROKR1CACNA2D1KMT2A
SCHEMBL26619946 0.83 NLRP3 (0.38) TLR7TLR8PROKR1NLRP3KDM4E
SCHEMBL26619951 0.83 NLRP3 (0.38) TLR7TLR8PROKR1NLRP3KDM4E

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-20230348458-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY, INC. 2023-11-02 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-20230348458-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD TLR7 238/4885TLR8 215/4885PROKR1 2933/4885

“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.