SCHEMBL26619946

SCHEMBL26619946

CCn1c([C@H]2CCCN(C(=O)O)C2)nc2c(N)nc3cc(-c4cc[nH]n4)ccc3c21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.38
TLR7 Q9NYK1 11/20 0.35
TLR8 Q9NR97 5/20 0.35
PROKR1 Q8TCW9 2/20 0.35
BTK Q06187 2/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL26619951 1.00 NLRP3 (0.38) NLRP3TLR7TLR8PROKR1BTK
SCHEMBL26713574 0.94 NLRP3 (0.38) NLRP3TLR7TLR8PROKR1BTK
SCHEMBL26619807 0.93 NLRP3 (0.41) NLRP3TLR7TLR8PROKR1BTK
SCHEMBL26619812 0.93 NLRP3 (0.41) NLRP3TLR7TLR8PROKR1BTK
SCHEMBL26713577 0.92 NLRP3 (0.39) NLRP3TLR7TLR8PROKR1BTK
SCHEMBL26713582 0.92 MAP3K12 (0.41) NLRP3PROKR1KDM4EGAAMAPK1
SCHEMBL26713580 0.92 NLRP3 (0.37) NLRP3TLR7TLR8PROKR1BTK
SCHEMBL26713579 0.91 NLRP3 (0.38) NLRP3TLR7TLR8PROKR1GAA
SCHEMBL26713586 0.91 ALDH1A1 (0.39) NLRP3TLR7TLR8BTKMAPK1
SCHEMBL30074831 0.90 JAK2 (0.40) NLRP3TLR7TLR8BTKKDM4E

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-20230348458-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY, INC. 2023-11-02 US disclosed
CN-115244052-A NLRP3 modulators 先天肿瘤免疫公司 2022-10-25 CN 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 NLRP3 1/4885TLR7 238/4885TLR8 215/4885

“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.