SCHEMBL29326647

SCHEMBL29326647

Cc1nc(N[C@@H]2CCC[C@H](O)C2)nnc1-c1ccc(OC(F)(F)F)cc1O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IL1B P01584 8/20 0.51
TNF P01375 1/20 0.42
GALR2 O43603 2/20 0.38
GALR1 P47211 2/20 0.38
NLRP3 Q96P20 7/20 0.38
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
MCHR1 Q99705 2/20 0.36
KCNH2 Q12809 1/20 0.36
PIM1 P11309 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
SCHEMBL26092873 0.85 IL1B (0.52) IL1BTNFNLRP3KCNH2
SCHEMBL30684741 0.85 IL1B (0.52) IL1BTNFNLRP3KCNH2
SCHEMBL30375405 0.85 IL1B (0.52) IL1BTNFNLRP3KCNH2
SCHEMBL27182193 0.85 IL1B (0.52) IL1BTNFNLRP3KCNH2
Hydrochloric Acid SCHEMBL29975485 0.85 IL1B (0.52) IL1BTNFNLRP3KCNH2
SCHEMBL29326633 0.84 NLRP3 (0.41) IL1BTNFNLRP3
SCHEMBL29326630 0.83 NLRP3 (0.52) IL1BTNFNLRP3GABBR2GABBR1
SCHEMBL29326443 0.83 NLRP3 (0.52) IL1BTNFGALR2GALR1NLRP3
SCHEMBL30684765 0.83 NLRP3 (0.52) IL1BTNFGALR2GALR1NLRP3
SCHEMBL29326637 0.82 IL1B (0.46) IL1BTNFNLRP3PIM1

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 67/4885GALR2 2435/4885

“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.