SCHEMBL10075474

SCHEMBL10075474

N#CC(C#N)=C1c2ccc(-c3ccc(-c4ccccc4)s3)cc2-c2nc(C#N)c(C#N)nc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.38
HSD17B2 P37059 5/20 0.38
PRF1 P14222 2/20 0.36
USP7 Q93009 7/20 0.35
USP8 P40818 7/20 0.35
USP47 Q96K76 4/20 0.35
HPGDS O60760 1/20 0.34
NQO2 P16083 2/20 0.33
ADORA1 P30542 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
SCHEMBL10074709 0.78 USP8 (0.39) USP7USP8USP47
SCHEMBL10074715 0.77 USP8 (0.50) USP7USP8USP47ADORA1
SCHEMBL10074708 0.77 USP8 (0.47) USP7USP8USP47ADORA1
SCHEMBL29548811 0.77 USP8 (0.57) USP7USP8USP47
SCHEMBL10074368 0.77 USP8 (0.57) USP7USP8USP47
SCHEMBL24872859 0.75 USP8 (0.45) USP7USP8USP47
SCHEMBL2756295 0.74 LMNA (0.37) ADORA1
SCHEMBL13207219 0.74 PDE3B (0.34) HSD17B1HSD17B2
SCHEMBL24872860 0.71 USP7 (0.38) USP7USP8USP47
SCHEMBL10074369 0.70 USP8 (0.49) USP7USP8USP47

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 HSD17B1 4143/4885HSD17B2 4122/4885PRF1 1511/4885

“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.