SCHEMBL29326744

SCHEMBL29326744

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 0.38
CCND1 P24385 18/20 0.38
CCND3 P30281 18/20 0.38
CDK6 Q00534 18/20 0.38
IL1B P01584 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL29326748 0.88 CDK4 (0.37) CDK4CCND1CCND3CDK6
SCHEMBL29326455 0.87 CDK4 (0.40) CDK4CCND1CCND3CDK6IL1B
SCHEMBL29975874 0.87 CDK4 (0.40) CDK4CCND1CCND3CDK6IL1B
SCHEMBL29326752 0.85 KCNH2 (0.44) IL1B
SCHEMBL29326732 0.85 NLRP3 (0.48) CDK4CCND1CCND3CDK6IL1B
SCHEMBL29326740 0.83 IL1B (0.40) CDK4CCND1CCND3CDK6IL1B
SCHEMBL29326626 0.78 NLRP3 (0.39) CDK4CCND1CCND3CDK6
SCHEMBL29326535 0.76 CDK4 (0.38) CDK4CCND1CCND3CDK6
SCHEMBL29326775 0.74 IL1B (0.61) IL1B
SCHEMBL29326094 0.73 CDK4 (0.35) CDK4CCND1CCND3CDK6

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 CDK4 2774/4885CCND1 4369/4885CCND3 4525/4885

“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.