SCHEMBL29326531

SCHEMBL29326531

Cc1ccc(-c2nnc(N[C@H]3C[C@@](C)(O)C3)nc2C)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IL1B P01584 9/20 0.52
TNF P01375 2/20 0.49
NLRP3 Q96P20 11/20 0.44

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
SCHEMBL26434285 1.00 IL1B (0.52) IL1BTNFNLRP3
SCHEMBL29326525 0.88 IL1B (0.67) IL1BTNFNLRP3
SCHEMBL26434594 0.88 IL1B (0.67) IL1BTNFNLRP3
SCHEMBL29326622 0.86 IL1B (0.48) IL1BTNFNLRP3
SCHEMBL29326569 0.86 IL1B (0.53) IL1BTNFNLRP3
SCHEMBL29326766 0.86 IL1B (0.48) IL1BTNFNLRP3
SCHEMBL24695700 0.85 IL1B (0.69) IL1BTNFNLRP3
SCHEMBL29030483 0.85 NLRP3 (0.50) IL1BTNFNLRP3
SCHEMBL29326389 0.85 IL1B (0.69) IL1BTNFNLRP3
SCHEMBL29326368 0.85 IL1B (0.69) IL1BTNFNLRP3

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 IL1B 11/4885TNF 67/4885NLRP3 1/4885

“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.