SCHEMBL10074703

SCHEMBL10074703

N#C/N=C1\c2ccc(-c3ccc(F)cc3)cc2-c2nc(C#N)c(C#N)nc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP8 P40818 11/20 0.47
USP7 Q93009 6/20 0.47
USP47 Q96K76 3/20 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
SQOR Q9Y6N5 1/20 0.34
PGR P06401 1/20 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
SCHEMBL10074358 0.88 USP8 (0.51) USP8USP7USP47ERBB2KDM4E
SCHEMBL10074360 0.88 USP8 (0.42) USP8USP7USP47PGR
SCHEMBL10050379 0.77 CYP11B2 (0.37) ERBB2KDM4ECYP3A4NPSR1CYP11B1
SCHEMBL10074708 0.76 USP8 (0.47) USP8USP7USP47ERBB2KDM4E
SCHEMBL10074359 0.76 USP8 (0.49) USP8USP7USP47ERBB2KDM4E
SCHEMBL10075452 0.75 USP8 (0.60) USP8USP7USP47
SCHEMBL10075449 0.75 ADORA1 (0.41) USP8ERBB2ALDH1A1SQOR
SCHEMBL12248169 0.75 ADORA1 (0.43) ERBB2SQOR
SCHEMBL12247602 0.72 ERBB2 (0.42) ERBB2ALDH1A1
SCHEMBL4694198 0.71 ERBB2 (0.61) USP8USP7USP47ERBB2KDM4E

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.