SCHEMBL23916902

SCHEMBL23916902

CC(C)(C)OC(=O)NCCc1nc2c(N)nc3cc(-c4cc[nH]n4)ccc3c2n1C1CCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.40
NLRP3 Q96P20 1/20 0.39
TLR7 Q9NYK1 13/20 0.39
TLR8 Q9NR97 4/20 0.39
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
AURKA O14965 3/20 0.36
PDPK1 O15530 3/20 0.36
AURKB Q96GD4 3/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OGFRL1 Q5TC84 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
SCHEMBL21724483 0.86 NLRP3 (0.55) JAK1NLRP3TLR7TLR8
SCHEMBL21724451 0.85 TLR7 (0.42) JAK1TLR7TLR8JAK2TYK2
SCHEMBL21735575 0.83 JAK1 (0.38) JAK1TLR7TLR8JAK2
SCHEMBL21735567 0.83 JAK1 (0.39) JAK1TLR7TLR8JAK2
SCHEMBL21735570 0.83 JAK1 (0.40) JAK1TLR7TLR8JAK2
SCHEMBL21735565 0.82 TLR7 (0.35) JAK1NLRP3TLR7TLR8JAK2
SCHEMBL21733010 0.82 JAK2 (0.42) JAK1NLRP3TLR7TLR8JAK2
SCHEMBL21735572 0.81 JAK1 (0.38) JAK1TLR7TLR8JAK2TYK2
SCHEMBL21735574 0.80 JAK1 (0.36) JAK1TLR7TLR8
SCHEMBL21733007 0.80 TLR7 (0.37) JAK1NLRP3TLR7TLR8JAK2

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-20210317118-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2021-10-14 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-20210317118-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD JAK1 2951/4885NLRP3 1/4885TLR7 236/4885

“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.