SCHEMBL10074709

SCHEMBL10074709

N#CC(C#N)=C1c2ccc(-c3ccc(C#N)cc3)cc2-c2nc(C#N)c(C#N)nc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP8 P40818 9/20 0.39
USP7 Q93009 8/20 0.39
USP47 Q96K76 4/20 0.39
PDK2 Q15119 1/20 0.38
MMP3 P08254 1/20 0.37
MAP4K4 O95819 2/20 0.34
PARP1 P09874 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
PGR P06401 1/20 0.33
RIPK1 Q13546 1/20 0.33
KIF11 P52732 1/20 0.33
SCN10A Q9Y5Y9 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
SCHEMBL10074708 0.88 USP8 (0.47) USP8USP7USP47PGR
SCHEMBL10074715 0.88 USP8 (0.50) USP8USP7USP47
SCHEMBL19114900 0.87 PDK2 (0.40) PDK2MMP3MAP4K4PARP1PGR
SCHEMBL20930524 0.78 MMP3 (0.44) PDK2MMP3MAP4K4PGRKIF11
SCHEMBL10074511 0.78 PDK2 (0.43) PDK2MMP3MAP4K4PARP1GABRA1
SCHEMBL10075474 0.78 HSD17B1 (0.38) USP8USP7USP47
SCHEMBL10075457 0.78 MMP3 (0.47) PDK2MMP3MAP4K4PGRKIF11
SCHEMBL29548811 0.76 USP8 (0.57) USP8USP7USP47
SCHEMBL10074368 0.76 USP8 (0.57) USP8USP7USP47
SCHEMBL20930817 0.76 MMP3 (0.46) PDK2MMP3MAP4K4PGRKIF11

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.