SCHEMBL29326550

SCHEMBL29326550

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.38
NR3C2 P08235 3/20 0.38
AR P10275 3/20 0.38
NLRP3 Q96P20 9/20 0.37
IL1B P01584 4/20 0.37
NR3C1 P04150 1/20 0.34
KCNH2 Q12809 1/20 0.33
TNF P01375 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5 P09917 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
SCHEMBL29326544 0.89 IL1B (0.47) PGRNR3C2ARNLRP3IL1B
SCHEMBL29326515 0.87 NLRP3 (0.49) PGRNR3C2ARNLRP3IL1B
SCHEMBL29326561 0.84 IL1B (0.52) PGRNR3C2ARNLRP3IL1B
SCHEMBL29326575 0.80 IL1B (0.51) NLRP3IL1BKCNH2TNF
SCHEMBL29326531 0.80 IL1B (0.52) NLRP3IL1BTNF
SCHEMBL26434285 0.80 IL1B (0.52) NLRP3IL1BTNF
SCHEMBL31130760 0.79 NLRP3 (0.43) PGRNR3C2ARNLRP3NR3C1
SCHEMBL31130796 0.79 NLRP3 (0.43) PGRNR3C2ARNLRP3NR3C1
SCHEMBL29326482 0.79 NLRP3 (0.51) NLRP3IL1BKCNH2TNFGAA
SCHEMBL26434277 0.79 NLRP3 (0.51) NLRP3IL1BKCNH2TNFGAA

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 PGR 3347/4885NR3C2 1343/4885AR 2486/4885

“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.