SCHEMBL10050437

SCHEMBL10050437

[C-]#[N+]/C(C#N)=C1\c2ccccc2-c2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.37
WDR5 P61964 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAOB P27338 1/20 0.36
CHUK O15111 1/20 0.35
TXNRD1 Q16881 1/20 0.35
NOX4 Q9NPH5 1/20 0.35
KIF11 P52732 2/20 0.33
GSR P00390 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
DPP4 P27487 1/20 0.32
MAPK13 O15264 1/20 0.32
RAF1 P04049 1/20 0.32
MAPK12 P53778 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
SCHEMBL10050440 0.89 RORB (0.34) ALDH1A1POLBKDM4ECYP1A2CYP2C19
SCHEMBL10050450 0.89 PIK3R1 (0.39) MYCWDR5ALDH1A1POLBKDM4E
SCHEMBL10050442 0.87 ADORA2A (0.41) KDM4EMAOBMAPK13RAF1MAPK12
SCHEMBL10050460 0.87 KDM4E (0.37) MYCWDR5ALDH1A1POLBKDM4E
SCHEMBL10050463 0.87 KDM4E (0.37) MYCWDR5ALDH1A1POLBKDM4E
SCHEMBL10050447 0.87 TOP1 (0.39) ALDH1A1POLBKDM4ECYP1A2CYP2C19
SCHEMBL10050441 0.86 ADORA1 (0.37) MYCWDR5ALDH1A1MAOBALOX5
SCHEMBL2706881 0.86 KIF11 (0.35) MYCWDR5MAOBKIF11GSR
SCHEMBL2705681 0.86 KIF11 (0.36) MYCWDR5MAOBKIF11GSR
SCHEMBL2706790 0.86 KIF11 (0.36) MYCWDR5KIF11GSRTOP1

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 MYC 1765/4885WDR5 3600/4885ALDH1A1 1634/4885

“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.