SCHEMBL30413428

SCHEMBL30413428

COC(=O)C12CCC(c3cc4n(n3)C[C@H](C)c3c-4cnnc3[C@@](C)(O)C(F)(F)F)(CC1)CC2

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 11/20 0.36
PDK2 Q15119 11/20 0.36
HSD11B1 P28845 1/20 0.31

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
SCHEMBL31149430 1.00 PDK1 (0.36) PDK1PDK2HSD11B1
SCHEMBL30412631 0.92 PDK2 (0.37) PDK1PDK2
SCHEMBL30412602 0.92 PDK2 (0.37) PDK1PDK2
SCHEMBL30414160 0.91 PDK2 (0.37) PDK1PDK2
SCHEMBL30412376 0.91 PDK2 (0.37) PDK1PDK2
SCHEMBL30413661 0.90 PDK2 (0.37) PDK1PDK2
SCHEMBL30413215 0.90 PDK2 (0.37) PDK1PDK2
SCHEMBL30413560 0.84 PDK2 (0.39) PDK1PDK2
SCHEMBL30412647 0.84 PDK2 (0.39) PDK1PDK2
SCHEMBL30413227 0.83 PDK2 (0.40) PDK1PDK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240417406-A1 NITROGEN-CONTAINING TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2024-12-19 US disclosed
EP-4438040-A1 NITROGEN-CONTAINING TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2024-10-02 EP disclosed
WO-2023032940-A1 NITROGEN-CONTAINING TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 日本たばこ産業株式会社 2023-03-09 WO 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-20240417406-A1 NITROGEN-CONTAINING TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF PC, PCK2, AGK PDK1 23/4885PDK2 5/4885HSD11B1 801/4885

“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.