SCHEMBL29326394

SCHEMBL29326394

CC[C@@H](O)CNc1nnc(-c2ccc(C(F)(F)F)cc2O)c(C)n1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 6/20 0.58
IL1B P01584 9/20 0.41
TNF P01375 2/20 0.41
KCNH2 Q12809 1/20 0.41
IDH2 P48735 4/20 0.40
CRHR1 P34998 2/20 0.40
PDE2A O00408 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
SCHEMBL29326352 0.91 NLRP3 (0.62) NLRP3IL1BTNFKCNH2IDH2
SCHEMBL29326589 0.89 NLRP3 (0.58) NLRP3IL1BTNFKCNH2IDH2
SCHEMBL29326657 0.88 NLRP3 (0.60) NLRP3IL1BTNFKCNH2IDH2
SCHEMBL29326837 0.86 NLRP3 (0.60) NLRP3IL1BTNFKCNH2IDH2
SCHEMBL29326347 0.85 NLRP3 (0.59) NLRP3IL1BTNFKCNH2IDH2
Hydrochloric Acid SCHEMBL27205425 0.85 NLRP3 (0.59) NLRP3IL1BTNFKCNH2IDH2
Hydrochloric Acid SCHEMBL27182180 0.85 NLRP3 (0.59) NLRP3IL1BTNFKCNH2IDH2
Hydrochloric Acid SCHEMBL29974873 0.85 NLRP3 (0.59) NLRP3IL1BTNFKCNH2IDH2
SCHEMBL29326378 0.84 NLRP3 (0.58) NLRP3IL1BTNFKCNH2IDH2
SCHEMBL29326652 0.83 NLRP3 (0.56) NLRP3IL1BTNFKCNH2IDH2

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 1/4885IL1B 11/4885TNF 67/4885

“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.