SCHEMBL29326164

SCHEMBL29326164

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.44
IL1B P01584 5/20 0.38
CCRL2 O00421 1/20 0.38
TNF P01375 1/20 0.38
CRHR1 P34998 9/20 0.37
KCNH2 Q12809 1/20 0.36
SYK P43405 1/20 0.35
SCN9A Q15858 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
SCHEMBL29326159 1.00 NLRP3 (0.44) NLRP3IL1BCCRL2TNFCRHR1
SCHEMBL29326831 0.82 NLRP3 (0.51) NLRP3IL1BTNFCRHR1KCNH2
SCHEMBL29326829 0.82 NLRP3 (0.51) NLRP3IL1BTNFCRHR1KCNH2
SCHEMBL29326670 0.81 NLRP3 (0.54) NLRP3IL1BTNFCRHR1KCNH2
SCHEMBL30833005 0.81 NLRP3 (0.52) NLRP3IL1BTNFCRHR1KCNH2
SCHEMBL29326127 0.81 NLRP3 (0.52) NLRP3IL1BTNFCRHR1KCNH2
SCHEMBL29326120 0.80 NLRP3 (0.50) NLRP3IL1BTNFKCNH2SYK
SCHEMBL29326142 0.80 IL1B (0.44) NLRP3IL1BSCN9A
SCHEMBL27380030 0.78 SYK (0.48) NLRP3IL1BSYKSCN9A
SCHEMBL27380136 0.78 SYK (0.48) NLRP3IL1BSYKSCN9A

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 11/4885CCRL2 1639/4885

“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.