SCHEMBL29326825

SCHEMBL29326825

Cc1nc(NC[C@H]2COCCN2)nnc1-c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 1/20 0.47
NLRP3 Q96P20 7/20 0.47
IL1B P01584 13/20 0.40
KCNH2 Q12809 1/20 0.38
TNF P01375 1/20 0.38
INSR P06213 1/20 0.32
LCK P06239 1/20 0.32
LYN P07948 1/20 0.32
HCK P08631 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
SCHEMBL29326810 0.86 IL1B (0.54) NLRP3IL1BKCNH2TNF
SCHEMBL26438937 0.86 IL1B (0.54) NLRP3IL1BKCNH2TNF
SCHEMBL29155893 0.81 NLRP3 (0.47) NLRP3IL1BKCNH2TNFKDR
SCHEMBL29975213 0.81 NLRP3 (0.47) NLRP3IL1BKCNH2TNFKDR
SCHEMBL29975535 0.81 NLRP3 (0.47) NLRP3IL1BKCNH2TNFKDR
SCHEMBL29326670 0.80 NLRP3 (0.54) NLRP3IL1BKCNH2TNF
SCHEMBL29326412 0.79 NLRP3 (0.48) NLRP3IL1BKCNH2TNF
SCHEMBL29326688 0.78 NLRP3 (0.48) NLRP3IL1BKCNH2TNF
SCHEMBL29326829 0.77 NLRP3 (0.51) NLRP3IL1BKCNH2TNF
SCHEMBL29326831 0.77 NLRP3 (0.51) NLRP3IL1BKCNH2TNF

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 BCDIN3D 3336/4885NLRP3 1/4885IL1B 11/4885

“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.