SCHEMBL254013

SCHEMBL254013

N#Cc1cccc(-c2cc(C(=O)c3cc(-c4cccc(C#N)c4)cc(-c4cccc(C#N)c4)c3)cc(-c3cccc(C#N)c3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.54
SLC22A12 Q96S37 1/20 0.54
CLK4 Q9HAZ1 1/20 0.51
KAT6A Q92794 1/20 0.51
IKBKB O14920 1/20 0.51
CHUK O15111 1/20 0.51
IDO1 P14902 2/20 0.49
GSK3B P49841 2/20 0.47
PTPN5 P54829 1/20 0.47
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
PGR P06401 1/20 0.44
GRK6 P43250 1/20 0.44
SLC6A7 Q99884 1/20 0.44
F11 P03951 1/20 0.43
PIN1 Q13526 1/20 0.43
KMO O15229 1/20 0.43

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
SCHEMBL133433 0.87 XDH (0.44) XDHSLC22A12CLK4KAT6AIKBKB
SCHEMBL7803345 0.84 XDH (0.60) XDHSLC22A12CLK4KAT6AIKBKB
SCHEMBL5529069 0.82 XDH (0.62) XDHSLC22A12CLK4KAT6AIDO1
SCHEMBL4060948 0.81 KAT6A (0.53) XDHSLC22A12CLK4KAT6AIKBKB
SCHEMBL23018678 0.81 XDH (0.39) XDHSLC22A12CLK4KAT6AIKBKB
SCHEMBL2154026 0.80 CLK4 (0.65) XDHSLC22A12CLK4IDO1PTPN5
SCHEMBL16108317 0.79 KAT6A (0.59) XDHSLC22A12CLK4KAT6AIKBKB
SCHEMBL27787243 0.78 CLK4 (0.63) XDHSLC22A12CLK4IDO1PTPN5
SCHEMBL29788150 0.77 XDH (0.65) XDHSLC22A12CLK4PTPN5MMP12
SCHEMBL2034067 0.77 XDH (0.65) XDHSLC22A12CLK4PTPN5MMP12

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2984152-B2 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2022-01-05 EP disclosed
EP-3658564-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-05-19 EP disclosed
EP-3526226-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-07-22 EP disclosed
EP-3526227-B1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-06-03 EP disclosed
EP-2627730-B1 FORMULATIONS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2020-05-06 EP disclosed
US-10636990-B2 Organic electroluminescence device MERCK PATENT GMBH (DE) 2020-04-28 US disclosed
EP-2748878-B1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2020-04-01 EP disclosed
WO-2019020538-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-01-31 WO disclosed
EP-2984152-B1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2018-04-25 EP disclosed
WO-2018069196-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-04-19 WO disclosed
US-20130200357-A1 FORMULATIONS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-08-08 US disclosed
US-20130168663-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2013-07-04 US disclosed
WO-2013050101-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2013-04-11 WO disclosed
US-20130049579-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2013-02-28 US disclosed
US-20120056169-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2012-03-08 US disclosed
US-20120037896-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2012-02-16 US disclosed
US-20110284831-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 US disclosed
US-20110108818-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-05-12 US disclosed
WO-2010069444-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2010-06-24 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-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 XDH 2181/4885SLC22A12 198/4885CLK4 4631/4885

“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.