SCHEMBL25563602

SCHEMBL25563602

c1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5cc(N(c6ccccc6)c6ccccc6)ccc53)c3ccccc3-4)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 15/20 0.38
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
OPRK1 P41145 1/20 0.32
MAOA P21397 1/20 0.32
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31
THRB P10828 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
SCHEMBL25563535 1.00 PDK2 (0.38) PDK2MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL24646644 0.99 PDK2 (0.40) PDK2MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL25496141 0.99 PDK2 (0.38) PDK2MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL17461739 0.96 PDK2 (0.43) PDK2MAPTL3MBTL1MEN1LMNA
SCHEMBL19001982 0.96 PDK2 (0.43) PDK2MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL19624764 0.96 PDK2 (0.40) PDK2MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL24647957 0.96 MAPT (0.38) PDK2MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL24647115 0.96 MAPT (0.38) PDK2MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL25563139 0.96 PDK2 (0.40) PDK2MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL25563650 0.96 MAPT (0.38) PDK2MAPTKDM4EL3MBTL1ALDH1A1

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-20230180502-A1 LIGHT-EMITTING DEVICE INCLUDING DIAMINE COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE DIAMINE COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-08 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-20230180502-A1 LIGHT-EMITTING DEVICE INCLUDING DIAMINE COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE DIAMINE COMPOUND AOC1, DTD1, DDT PDK2 1373/4885MAPT 1752/4885KDM4E 1826/4885

“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.