SCHEMBL29326460

SCHEMBL29326460

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IL1B P01584 2/20 0.44
NLRP3 Q96P20 2/20 0.38
KCNH2 Q12809 1/20 0.38
CHRM1 P11229 1/20 0.37
PDE2A O00408 3/20 0.37
PDE10A Q9Y233 2/20 0.37
CDK4 P11802 12/20 0.34
CCND1 P24385 12/20 0.34
CCND3 P30281 12/20 0.34
CDK6 Q00534 12/20 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
SCHEMBL29326571 0.89 MAPK1 (0.37) NLRP3KCNH2CDK4CCND1CCND3
SCHEMBL29326740 0.88 IL1B (0.40) IL1BNLRP3KCNH2CHRM1PDE2A
SCHEMBL29326443 0.87 NLRP3 (0.52) IL1BNLRP3KCNH2
SCHEMBL30684765 0.87 NLRP3 (0.52) IL1BNLRP3KCNH2
SCHEMBL29326381 0.86 NLRP3 (0.53) IL1BNLRP3KCNH2CDK4CCND1
SCHEMBL29326535 0.85 CDK4 (0.38) NLRP3KCNH2CDK4CCND1CCND3
SCHEMBL29975874 0.83 CDK4 (0.40) IL1BNLRP3KCNH2CDK4CCND1
SCHEMBL29326455 0.83 CDK4 (0.40) IL1BNLRP3KCNH2CDK4CCND1
SCHEMBL29326626 0.82 NLRP3 (0.39) NLRP3KCNH2CDK4CCND1CCND3
SCHEMBL29326833 0.80 IL1B (0.47) IL1BNLRP3KCNH2

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 IL1B 11/4885NLRP3 1/4885KCNH2 2120/4885

“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.