SCHEMBL10050435

SCHEMBL10050435

[C-]#[N+]/C(C#N)=C1\c2ccccc2-c2nc(-c3ccc(C#N)cc3)c(-c3ccc(C#N)cc3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
IDO1 P14902 1/20 0.36
ALOX5 P09917 2/20 0.34
PTGS2 P35354 1/20 0.34
MAPK13 O15264 1/20 0.33
RAF1 P04049 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
AR P10275 1/20 0.33
ALDH1A3 P47895 1/20 0.33
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
USP47 Q96K76 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
MMP3 P08254 1/20 0.32
PDK2 Q15119 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL10050441 0.87 ADORA1 (0.37) MAOBALOX5MAPK14ALDH1A3PTGDR2
SCHEMBL10050462 0.86 PDK2 (0.37) MAOBIDO1PDK2MEN1KMT2A
SCHEMBL10050458 0.84 ATR (0.40) MAOBIDO1ARALDH1A3PDK2
SCHEMBL10050445 0.84 ATR (0.40) MAOBIDO1ARALDH1A3PDK2
SCHEMBL10050437 0.84 MYC (0.37) MAOBALOX5PTGS2MAPK13RAF1
SCHEMBL10075458 0.82 MAOB (0.42) MAOBIDO1ALOX5PTGS2MAPK13
SCHEMBL2704127 0.80 RAB9A (0.34) USP8USP7USP47MEN1KMT2A
SCHEMBL2704133 0.80 RAB9A (0.34) USP8USP7USP47MEN1KMT2A
SCHEMBL10050459 0.79 USP8 (0.43) USP8USP7USP47
SCHEMBL10050436 0.79 AR (0.50) AREGLN2

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 2845/4885ALOX5 4297/4885

“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.