SCHEMBL10075463

SCHEMBL10075463

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
MAOB P27338 1/20 0.42
USP8 P40818 6/20 0.41
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
USP7 Q93009 1/20 0.36
USP47 Q96K76 1/20 0.36
ALDH1A3 P47895 1/20 0.36
AR P10275 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
TDO2 P48775 1/20 0.35
AKT1 P31749 1/20 0.34
CYP11B2 P19099 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL10075449 0.85 ADORA1 (0.41) MAOBUSP8MAPK14MEN1KMT2A
SCHEMBL10075004 0.84 MAOB (0.40) IDO1MAOBUSP8AKT1RAB9A
SCHEMBL10074700 0.82 ATR (0.44) IDO1MAOBUSP8ALDH1A3AR
SCHEMBL10074699 0.82 ATR (0.44) IDO1MAOBUSP8ALDH1A3AR
SCHEMBL12248169 0.82 ADORA1 (0.43) MAOBMAPK14ALDH1A3MEN1KMT2A
SCHEMBL10050404 0.82 IDO1 (0.40) IDO1MAOBUSP8MAPK13RAF1
SCHEMBL10075462 0.82 MYC (0.40) MAOBUSP8MAPK13RAF1MAPK12
SCHEMBL10075452 0.80 USP8 (0.60) USP8USP7USP47
SCHEMBL12247837 0.78 KIF11 (0.40) MAOBMAPK13RAF1MAPK12MAPK11
SCHEMBL12247600 0.76 ALDH1A1 (0.42) USP8USP7USP47ATM

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 2845/4885MAOB 1019/4885USP8 4307/4885

“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.