SCHEMBL22178498

SCHEMBL22178498

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc4c5c6c7ccccc7n7c8cc(-c9ccc%10c(c9)C9(c%11ccccc%11-c%11ccccc%119)c9ccccc9-%10)ccc8c(c8c9ccccc9n(c4c3)c85)c67)cc21

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 20/20 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
SCHEMBL22178502 0.92 PDK2 (0.34) PDK2
SCHEMBL22178866 0.92 PDK2 (0.34) PDK2
SCHEMBL22178503 0.87 PDK2 (0.33) PDK2
SCHEMBL22178863 0.85 PDK2 (0.34) PDK2
SCHEMBL21453762 0.80 PDK2 (0.33) PDK2
SCHEMBL22178705 0.79 PDK2 (0.33) PDK2
SCHEMBL24601504 0.78 MEN1 (0.41)
SCHEMBL18565465 0.78 MAOB (0.37) PDK2
SCHEMBL18565368 0.78 RXRA (0.48) PDK2
SCHEMBL22178597 0.78 MAOB (0.41)

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-20200212315-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ELECTRONIC DEVICE, AND COMPOUND IDEMITSU KOSAN CO.,LTD. (JP) 2020-07-02 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-20200212315-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ELECTRONIC DEVICE, AND COMPOUND OR10J3, ESR1, NFE2L2 PDK2 1284/4885

“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.