SCHEMBL29326626

SCHEMBL29326626

Cc1nc(N[C@@H]2CCOC[C@H]2O)nnc1-c1ccc(C2CC2)cc1O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.39
CDK4 P11802 13/20 0.36
CCND1 P24385 13/20 0.36
CCND3 P30281 13/20 0.36
CDK6 Q00534 13/20 0.36
KCNH2 Q12809 1/20 0.35
SYK P43405 2/20 0.34

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
SCHEMBL29326535 0.89 CDK4 (0.38) NLRP3CDK4CCND1CCND3CDK6
SCHEMBL29326455 0.87 CDK4 (0.40) NLRP3CDK4CCND1CCND3CDK6
SCHEMBL29975874 0.87 CDK4 (0.40) NLRP3CDK4CCND1CCND3CDK6
SCHEMBL29326584 0.85 NLRP3 (0.48) NLRP3KCNH2SYK
SCHEMBL29326571 0.85 MAPK1 (0.37) NLRP3CDK4CCND1CCND3CDK6
SCHEMBL29326381 0.84 NLRP3 (0.53) NLRP3CDK4CCND1CCND3CDK6
SCHEMBL29326748 0.82 CDK4 (0.37) NLRP3CDK4CCND1CCND3CDK6
SCHEMBL29326460 0.82 IL1B (0.44) NLRP3CDK4CCND1CCND3CDK6
SCHEMBL29326744 0.78 CDK4 (0.38) CDK4CCND1CCND3CDK6
SCHEMBL31130766 0.77 NLRP3 (0.41) NLRP3CDK4CCND1CCND3CDK6

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 1/4885CDK4 2774/4885CCND1 4369/4885

“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.