SCHEMBL2705677

SCHEMBL2705677

[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc2-c2nc3c(nc21)-c1ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1/C3=C(/C#N)[N+]#[C-]

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
CYP2C9 P11712 1/20 0.32
SCN9A Q15858 1/20 0.32
EIF4E P06730 1/20 0.31
AR P10275 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
MYC P01106 1/20 0.30
WDR5 P61964 1/20 0.30
TRPA1 O75762 1/20 0.30

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
SCHEMBL10050387 0.91 EDNRB (0.39) ALOX5APFEN1EDNRBEDNRACYP2C9
SCHEMBL2706736 0.89 FEN1 (0.38) ALOX5APFEN1
SCHEMBL2705681 0.89 KIF11 (0.36) MYCWDR5
SCHEMBL2706844 0.89 KDM4E (0.33)
SCHEMBL2706881 0.87 KIF11 (0.35) MYCWDR5
SCHEMBL2706870 0.86 CTSS (0.40)
SCHEMBL2706779 0.85 CTSS (0.34)
SCHEMBL16002367 0.85 ALOX5AP (0.40) ALOX5APFEN1EDNRBEDNRACYP2C9
SCHEMBL2705380 0.85 CTSS (0.38)
SCHEMBL2706790 0.84 KIF11 (0.36) MYCWDR5

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-8088901-B2 Azaindenofluorenedione derivative, material for organic electroluminescence device and organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-01-03 US disclosed
US-20090315022-A1 AZAINDENOFLUORENEDIONE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-12-24 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-20090315022-A1 AZAINDENOFLUORENEDIONE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE CYP19A1, HSD17B2, AZI2 ALOX5AP 1795/4885FEN1 757/4885EDNRB 2365/4885

“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.