SCHEMBL12575720

SCHEMBL12575720

[C-]#[N+]c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc4ccc5c(N(c6ccccc6)c6cc(-c7ccccc7)cc(-c7ccc(C#N)cc7)c6)ccc6ccc3c4c65)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
SCN9A Q15858 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
ABCG2 Q9UNQ0 2/20 0.31
ABCB1 P08183 1/20 0.31
CSNK1A1 P48729 1/20 0.30
CSNK1D P48730 1/20 0.30
GSK3B P49841 1/20 0.30
CSNK1G2 P78368 1/20 0.30
ALDH1A3 P47895 1/20 0.30
CYP19A1 P11511 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
SCHEMBL12575857 0.99 SCN9A (0.32) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL12575714 0.98 MYC (0.33) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL10010543 0.97 ABCG2 (0.33) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL12575844 0.94 PGR (0.32)
SCHEMBL12575723 0.93 ABCG2 (0.32) MYCABCG2CSNK1A1CSNK1DGSK3B
SCHEMBL12575717 0.93 PTGDR2 (0.38) MYCPTGDR2ABCG2
SCHEMBL12575683 0.93 PTGDR2 (0.38) MYCPTGDR2ABCG2
SCHEMBL12575598 0.93 ABCG2 (0.32) MYCABCG2CSNK1A1CSNK1DGSK3B
SCHEMBL10353959 0.92 ABCG2 (0.35) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL12575708 0.92 PTGDR2 (0.31) MYCPTGDR2

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-9126892-B2 Blue fluorescence compound and organic electroluminescence device using the same LG DISPLAY CO., LTD. (KR) 2015-09-08 US disclosed
US-20110156011-A1 BLUE FLUORESCENCE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2011-06-30 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-20110156011-A1 BLUE FLUORESCENCE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME KCNN2, ORAI2, ETV6 MYC 182/4885GABRA1 1933/4885GABRG2 2824/4885

“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.