SCHEMBL29326759

SCHEMBL29326759

Cc1ccc(-c2nnc(N[C@@H]3CCCC[C@H]3O)nc2C2CC2)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.48
KCNH2 Q12809 1/20 0.48
IL1B P01584 2/20 0.37
IDH1 O75874 2/20 0.35
OPRK1 P41145 8/20 0.35
CNR1 P21554 1/20 0.35
TNF P01375 1/20 0.35
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX5 P09917 1/20 0.34
HSD11B1 P28845 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
SCHEMBL26434277 0.88 NLRP3 (0.51) NLRP3KCNH2IL1BIDH1OPRK1
SCHEMBL29326482 0.88 NLRP3 (0.51) NLRP3KCNH2IL1BIDH1OPRK1
SCHEMBL29326752 0.87 KCNH2 (0.44) NLRP3KCNH2IL1BIDH1CNR1
SCHEMBL29326748 0.85 CDK4 (0.37) NLRP3KCNH2
SCHEMBL29326723 0.84 NLRP3 (0.64) NLRP3KCNH2IL1BIDH1CNR1
SCHEMBL29326726 0.82 NLRP3 (0.61) NLRP3KCNH2IL1BIDH1TNF
SCHEMBL29326755 0.82 KCNH2 (0.46) NLRP3KCNH2IL1BIDH1CNR1
SCHEMBL29326584 0.80 NLRP3 (0.48) NLRP3KCNH2IL1BIDH1CNR1
SCHEMBL29326766 0.78 IL1B (0.48) NLRP3IL1BTNFALOX5
SCHEMBL30375553 0.77 NLRP3 (0.49) NLRP3KCNH2IL1BIDH1CNR1

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 2120/4885IL1B 11/4885

“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.