SCHEMBL10074708

SCHEMBL10074708

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP8 P40818 9/20 0.47
USP7 Q93009 8/20 0.47
USP47 Q96K76 4/20 0.47
ERBB2 P04626 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ALOX15 P16050 1/20 0.34
PGR P06401 1/20 0.33
IL4 P05112 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33

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 0.88 USP8 (0.39) USP8USP7USP47PGR
SCHEMBL10074715 0.87 USP8 (0.50) USP8USP7USP47ERBB2KDM4E
SCHEMBL19114670 0.86 USP8 (0.38) USP8USP7USP47ERBB2ALDH1A1
SCHEMBL24872860 0.78 USP7 (0.38) USP8USP7USP47CYP11B1CYP11B2
SCHEMBL2756392 0.77 KIF11 (0.41)
SCHEMBL20930538 0.77 CYP11B1 (0.39) ALDH1A1CYP3A4CYP11B1CYP11B2PGR
SCHEMBL10075474 0.77 HSD17B1 (0.38) USP8USP7USP47ADORA1
SCHEMBL10075613 0.77 MAPT (0.46) ALDH1A1CYP3A4CYP11B1CYP11B2PGR
SCHEMBL10074703 0.76 USP8 (0.47) USP8USP7USP47ERBB2KDM4E
SCHEMBL1755061 0.76 USP8 (0.42) USP8USP7USP47KDM4EALDH1A1

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.