SCHEMBL29326480

SCHEMBL29326480

Cc1nc(N[C@@H]2CCCC[C@H]2O)nnc1-c1ccc(C(C)C)cc1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.48
KCNH2 Q12809 1/20 0.48
IDH1 O75874 3/20 0.36
TNF P01375 1/20 0.34
IL1B P01584 1/20 0.34
PTGS1 P23219 2/20 0.33
TRPA1 O75762 1/20 0.33
CACNA1C Q13936 1/20 0.33
CHEK2 O96017 1/20 0.32
PTGS2 P35354 1/20 0.31
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
IRAK1 P51617 1/20 0.31
CRHR1 P34998 1/20 0.31

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
SCHEMBL29326482 0.87 NLRP3 (0.51) NLRP3KCNH2IDH1TNFIL1B
SCHEMBL26434277 0.87 NLRP3 (0.51) NLRP3KCNH2IDH1TNFIL1B
SCHEMBL26093102 0.85 NLRP3 (0.49) NLRP3KCNH2IDH1TNFIL1B
SCHEMBL30375553 0.85 NLRP3 (0.49) NLRP3KCNH2IDH1TNFIL1B
SCHEMBL29326539 0.85 NLRP3 (0.52) NLRP3KCNH2IDH1TNFIL1B
SCHEMBL26434542 0.85 NLRP3 (0.49) NLRP3KCNH2IDH1TNFIL1B
SCHEMBL29326584 0.84 NLRP3 (0.48) NLRP3KCNH2IDH1TNFIL1B
SCHEMBL29326566 0.83 NLRP3 (0.48) NLRP3KCNH2IDH1IL1BCCNE2
SCHEMBL24696096 0.82 NLRP3 (0.71) NLRP3KCNH2IDH1TNFIL1B
SCHEMBL29326421 0.82 NLRP3 (0.71) NLRP3KCNH2IDH1TNFIL1B

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-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NICO THERAPEUTICS, INC. 2024-07-18 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-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NLRP3, NLRP1, PYCARD NLRP3 1/4885KCNH2 2120/4885IDH1 2485/4885

“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.