SCHEMBL29326740

SCHEMBL29326740

Oc1cc(OC(F)(F)F)ccc1-c1nnc(N[C@@H]2CCOC[C@H]2O)nc1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IL1B P01584 2/20 0.40
CHRM1 P11229 1/20 0.37
ABL1 P00519 1/20 0.35
CDK4 P11802 14/20 0.35
CCND1 P24385 14/20 0.35
CCND3 P30281 14/20 0.35
CDK6 Q00534 14/20 0.35
KCNH2 Q12809 1/20 0.34
NLRP3 Q96P20 1/20 0.34
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL29326460 0.88 IL1B (0.44) IL1BCHRM1CDK4CCND1CCND3
SCHEMBL29326755 0.87 KCNH2 (0.46) IL1BKCNH2NLRP3
SCHEMBL29326732 0.86 NLRP3 (0.48) IL1BCDK4CCND1CCND3CDK6
SCHEMBL29326748 0.83 CDK4 (0.37) CDK4CCND1CCND3CDK6KCNH2
SCHEMBL29326744 0.83 CDK4 (0.38) IL1BCDK4CCND1CCND3CDK6
SCHEMBL29326772 0.77 IL1B (0.65) IL1BKCNH2NLRP3
SCHEMBL29326785 0.77 IL1B (0.48) IL1BKCNH2NLRP3PDE2A
SCHEMBL29326571 0.77 MAPK1 (0.37) CDK4CCND1CCND3CDK6KCNH2
SCHEMBL29326792 0.76 SCN9A (0.47) IL1BPDE2A
SCHEMBL30684765 0.75 NLRP3 (0.52) IL1BKCNH2NLRP3

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 11/4885CHRM1 2927/4885ABL1 4522/4885

“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.