SCHEMBL23307397

SCHEMBL23307397

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)Sc4cc6ccccc6cc4C54c5ccccc5-c5ccccc54)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.36
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NOX1 Q9Y5S8 1/20 0.30

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
SCHEMBL23307679 0.99 PDK2 (0.36) PDK2
SCHEMBL23307680 0.98 PDK2 (0.34) PDK2NPC1GAAMAPTMAPK1
SCHEMBL23307390 0.95 PDK2 (0.34) PDK2NPC1GAAMAPTMAPK1
SCHEMBL23307373 0.94 PDK2 (0.33) PDK2
SCHEMBL23307675 0.93 PDK2 (0.39) PDK2NPC1GAAMAPTMAPK1
SCHEMBL23307673 0.92 PDK2 (0.39) PDK2
SCHEMBL23307274 0.91 PDK2 (0.35) PDK2
SCHEMBL23307400 0.90 PDK2 (0.34) PDK2NPC1GAAMAPTMAPK1
SCHEMBL23307686 0.90 PDK2 (0.36) PDK2NPC1GAAMAPTMAPK1
SCHEMBL23307276 0.90 PDK2 (0.34) 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-20210126200-A1 ORGANIC COMPOUNDS AND ORGANIC LIGHT EMITTING DISPLAY DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2021-04-29 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-20210126200-A1 ORGANIC COMPOUNDS AND ORGANIC LIGHT EMITTING DISPLAY DEVICE USING THE SAME AOX1, OCIAD1, SLCO2A1 PDK2 2383/4885NPC1 547/4885GAA 1311/4885

“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.