SCHEMBL397191

SCHEMBL397191

N#CCC(=O)c1cccc(C(=O)CC#N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.50
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 3/20 0.40
KCNH2 Q12809 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
CES1 P23141 3/20 0.39
CES2 O00748 2/20 0.39
MCL1 Q07820 1/20 0.39
ERCC5 P28715 2/20 0.39
FEN1 P39748 2/20 0.39
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL28241079 0.92 CA12 (0.47) GSK3BKMT2AHPGD
SCHEMBL29547149 0.92 CA12 (0.47) GSK3BKMT2AHPGD
SCHEMBL11769075 0.88 CA12 (0.52) GSK3BMAPTKDM4EGAAMAPK1
SCHEMBL30375734 0.87 GSK3B (0.70) GSK3BMAPTMEN1KMT2A
SCHEMBL30951011 0.87 PARP1 (0.52) GSK3BTDP1MAPTKCNH2KDM4E
SCHEMBL29403016 0.87 ERCC5 (0.56) GSK3BMAPTKCNH2KDM4EMEN1
SCHEMBL1786567 0.87 PARP1 (0.52) GSK3BL3MBTL1MAPTKCNH2MEN1
SCHEMBL3658196 0.87 GSK3B (0.44) GSK3BMAPTKCNH2KDM4EMEN1
SCHEMBL16863084 0.87 GSK3B (0.70) GSK3BMAPTMEN1KMT2A
SCHEMBL135970 0.87 PARP1 (0.52) GSK3BTDP1MAPTKCNH2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101290-B2 Organic compound having electron-transporting and/or hole-blocking performance and its use and OLEDs comprising the compound TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2012-01-24 US disclosed
US-20090102356-A1 NOVEL ORGANIC COMPOUND HAVING ELECTRON-TRANSPORTING AND/OR HOLE-BLOCKING PERFORMANCE AND ITS USE AND OLEDs COMPRISING THE COMPOUND TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2009-04-23 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-20090102356-A1 NOVEL ORGANIC COMPOUND HAVING ELECTRON-TRANSPORTING AND/OR HOLE-BLOCKING PERFORMANCE AND ITS USE AND OLEDs COMPRISING THE COMPOUND SLCO4C1, SLCO1B1, SLCO2B1 GSK3B 2732/4885TDP1 4026/4885ATM 3936/4885

“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.