SCHEMBL10050404

SCHEMBL10050404

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
USP8 P40818 6/20 0.40
MAOB P27338 1/20 0.39
MAPK13 O15264 1/20 0.34
RAF1 P04049 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
USP7 Q93009 1/20 0.34
USP47 Q96K76 1/20 0.34
ALDH1A3 P47895 1/20 0.34
AR P10275 1/20 0.34
AKT1 P31749 1/20 0.33
TDO2 P48775 1/20 0.33
CYP11B2 P19099 1/20 0.32
LRRK2 Q5S007 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL10050417 0.85 MAOB (0.38) IDO1USP8MAOBAKT1ALDH1A1
SCHEMBL10050412 0.84 ATR (0.42) IDO1USP8MAOBALDH1A3AR
SCHEMBL10050410 0.84 ATR (0.42) IDO1USP8MAOBALDH1A3AR
SCHEMBL10075463 0.82 IDO1 (0.43) IDO1USP8MAOBMAPK13RAF1
SCHEMBL10050407 0.82 MAPK14 (0.40) USP8MAOBMAPK13MAPK12MAPK11
SCHEMBL10050402 0.81 USP8 (0.57) USP8USP7USP47
SCHEMBL12226943 0.78 ADORA1 (0.36) USP8MAOBMAPK14
SCHEMBL10050439 0.78 USP8 (0.50) USP8USP7USP47
SCHEMBL10050403 0.78 AR (0.52) AR
SCHEMBL12226933 0.75 MYC (0.34) MAOBMAPK13RAF1MAPK12MAPK11

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 IDO1 2845/4885USP8 4307/4885MAOB 1019/4885

“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.