SCHEMBL29326703

SCHEMBL29326703

Cc1nc(NCCC#N)nnc1-c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.53
IL1B P01584 9/20 0.39
TNF P01375 2/20 0.39
KCNH2 Q12809 1/20 0.39
HTT P42858 1/20 0.35
THRB P10828 1/20 0.35
CRHR1 P34998 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
INSR P06213 1/20 0.32
LCK P06239 1/20 0.32
LYN P07948 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL29326349 0.84 NLRP3 (0.55) NLRP3IL1BTNFKCNH2CRHR1
SCHEMBL29326352 0.82 NLRP3 (0.62) NLRP3IL1BTNFKCNH2CRHR1
SCHEMBL29326657 0.82 NLRP3 (0.60) NLRP3IL1BTNFKCNH2CRHR1
SCHEMBL29326652 0.81 NLRP3 (0.56) NLRP3IL1BTNFKCNH2
SCHEMBL29326589 0.80 NLRP3 (0.58) NLRP3IL1BTNFKCNH2CRHR1
SCHEMBL29326394 0.80 NLRP3 (0.58) NLRP3IL1BTNFKCNH2CRHR1
SCHEMBL29326837 0.80 NLRP3 (0.60) NLRP3IL1BTNFKCNH2CRHR1
SCHEMBL25857462 0.80 NLRP3 (0.62) NLRP3IL1BTNFKCNH2CRHR1
Hydrochloric Acid SCHEMBL29974873 0.79 NLRP3 (0.59) NLRP3IL1BTNFKCNH2CRHR1
SCHEMBL29326373 0.79 NLRP3 (0.54) NLRP3IL1BTNFKCNH2

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.