SCHEMBL29326526

SCHEMBL29326526

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

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IL1B P01584 9/20 0.71
TNF P01375 2/20 0.50
NLRP3 Q96P20 3/20 0.46
PIM1 P11309 2/20 0.36
PIM2 Q9P1W9 1/20 0.35
MCHR1 Q99705 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
IDH1 O75874 1/20 0.34
IDH2 P48735 1/20 0.34
GALR2 O43603 1/20 0.34
GALR1 P47211 1/20 0.34
CRHR1 P34998 1/20 0.34
TNK2 Q07912 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
SCHEMBL29326569 0.88 IL1B (0.53) IL1BTNFNLRP3CRHR1
SCHEMBL29326772 0.87 IL1B (0.65) IL1BTNFNLRP3PIM1PIM2
SCHEMBL29326368 0.85 IL1B (0.69) IL1BTNFNLRP3
SCHEMBL26132225 0.85 IL1B (0.69) IL1BTNFNLRP3
SCHEMBL30054549 0.85 IL1B (0.69) IL1BTNFNLRP3
SCHEMBL24695700 0.85 IL1B (0.69) IL1BTNFNLRP3
SCHEMBL29326389 0.85 IL1B (0.69) IL1BTNFNLRP3
SCHEMBL26434285 0.83 IL1B (0.52) IL1BTNFNLRP3
SCHEMBL29326531 0.83 IL1B (0.52) IL1BTNFNLRP3
SCHEMBL22655097 0.83 IL1B (1.00) 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.