SCHEMBL12640474

SCHEMBL12640474

N#Cc1ccc(-c2cc(-c3ccc(C#N)cc3)cc(N(c3ccccc3)c3ccc4ccc5c(N(c6ccccc6)c6cc(-c7ccc(C#N)cc7)cc(-c7ccc(C#N)cc7)c6)ccc6ccc3c4c65)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.36
SCN9A Q15858 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
PGR P06401 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
HRH3 Q9Y5N1 3/20 0.34
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
ABCG2 Q9UNQ0 2/20 0.33
ABCB1 P08183 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
GSK3B P49841 1/20 0.33
CSNK1G2 P78368 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
SCHEMBL12640469 0.99 MYC (0.38) MYCSCN9APTGDR2GABRA1GABRG2
SCHEMBL12640521 0.96 MYC (0.38) MYCSCN9APTGDR2GABRA1GABRG2
SCHEMBL10040890 0.95 ABCG2 (0.38) MYCPTGDR2GABRA1GABRG2GABRB3
SCHEMBL12640426 0.93 PGR (0.37) PTGDR2PGRHRH3TSHRMMP3
SCHEMBL12640564 0.92 MYC (0.35) MYCSCN9AGABRA1GABRG2GABRB3
SCHEMBL12575857 0.91 SCN9A (0.32) MYCSCN9APTGDR2GABRA1GABRG2
SCHEMBL17933038 0.91 ABCG2 (0.40) MYCSCN9APTGDR2GABRA1GABRG2
SCHEMBL12640432 0.91 PTGDR2 (0.42) MYCPTGDR2GABRA1GABRG2GABRB3
SCHEMBL12640522 0.91 PTGDR2 (0.42) MYCPTGDR2GABRA1GABRG2GABRB3
SCHEMBL12640480 0.91 ABCG2 (0.36) MYCSCN9APTGDR2GABRA1GABRG2

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 182/4885SCN9A 1378/4885PTGDR2 4822/4885

“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.