SCHEMBL21396947

SCHEMBL21396947

N#Cc1cc(-c2ccc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)nc2)cc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)c1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.33
USP30 Q70CQ3 1/20 0.32

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
SCHEMBL19340277 0.88 PDK2 (0.37) PDK2
SCHEMBL21397158 0.82 PDK2 (0.37) PDK2USP30
SCHEMBL19345083 0.81 PDK2 (0.38) PDK2
SCHEMBL21396945 0.81 BMPR1B (0.34) PDK2
SCHEMBL19345030 0.81 PGR (0.40) PDK2
SCHEMBL22147701 0.79 ABCG2 (0.36) PDK2
SCHEMBL19345295 0.78 PDK2 (0.42) PDK2
SCHEMBL23342713 0.76 USP30 (0.42) PDK2USP30
SCHEMBL19340273 0.75 PGR (0.33)
SCHEMBL18411261 0.75 PDK2 (0.31) PDK2

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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 PDK2 143/4885USP30 3777/4885

“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.