SCHEMBL10075458

SCHEMBL10075458

N#CC(C#N)=C1c2ccccc2-c2nc(-c3ccc(C#N)cc3)c(-c3ccc(C#N)cc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
IDO1 P14902 1/20 0.40
PDK2 Q15119 1/20 0.37
MAPK13 O15264 1/20 0.36
RAF1 P04049 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
USP8 P40818 1/20 0.36
USP7 Q93009 1/20 0.36
USP47 Q96K76 1/20 0.36
ALDH1A3 P47895 1/20 0.36
MMP3 P08254 1/20 0.36
AR P10275 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
TDO2 P48775 1/20 0.35
ALOX5 P09917 1/20 0.34

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
SCHEMBL19114663 0.86 USP8 (0.42) USP8USP7USP47MEN1KMT2A
SCHEMBL10074367 0.85 ADORA1 (0.41) MAOBMAPK14ALDH1A3PTGDR2MEN1
SCHEMBL10074511 0.84 PDK2 (0.43) MAOBIDO1PDK2MMP3MEN1
SCHEMBL10074510 0.82 ATR (0.44) MAOBIDO1PDK2ALDH1A3AR
SCHEMBL10050435 0.82 MAOB (0.38) MAOBIDO1PDK2MAPK13RAF1
SCHEMBL10074516 0.82 ATR (0.44) MAOBIDO1PDK2ALDH1A3AR
SCHEMBL19114900 0.82 PDK2 (0.40) MAOBPDK2MMP3CYP11B2PARP1
SCHEMBL10075466 0.82 MYC (0.40) MAOBMAPK13RAF1MAPK12MAPK11
SCHEMBL29548811 0.80 USP8 (0.57) USP8USP7USP47
SCHEMBL10074368 0.80 USP8 (0.57) USP8USP7USP47

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-8119828-B2 Material for an organic electroluminescence device and an organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-02-21 US disclosed
US-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 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-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE AFF4, KCNH3, HCN4 MAOB 1019/4885IDO1 2845/4885PDK2 2339/4885

“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.