SCHEMBL10074517

SCHEMBL10074517

N#CC(C#N)=C1c2ccccc2-c2cc(C#N)c(C#N)nc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP8 P40818 12/20 0.40
USP7 Q93009 4/20 0.40
USP47 Q96K76 2/20 0.40
CNR1 P21554 3/20 0.37
CNR2 P34972 3/20 0.37
CHUK O15111 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
ESR2 Q92731 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
SCHEMBL10050471 0.82 USP8 (0.35) USP8USP7USP47CNR1CNR2
SCHEMBL10074368 0.80 USP8 (0.57) USP8USP7USP47
SCHEMBL29548811 0.80 USP8 (0.57) USP8USP7USP47
SCHEMBL24872857 0.75 ALDH1A1 (0.47) USP8USP7USP47CHUKESR2
SCHEMBL10075456 0.73 USP8 (0.41) USP8USP7USP47CNR1CNR2
SCHEMBL10074369 0.73 USP8 (0.49) USP8USP7USP47
SCHEMBL19114663 0.72 USP8 (0.42) USP8USP7USP47
SCHEMBL20169151 0.71 SMN1; SMN2 (0.34) USP8USP7USP47
SCHEMBL1172933 0.71 MAPT (0.46) USP8USP7ESR2
SCHEMBL24872939 0.71 USP8 (0.47) 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 USP8 4307/4885USP7 4265/4885USP47 4258/4885

“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.