SCHEMBL12640478

SCHEMBL12640478

N#Cc1cccc(N(c2cc(-c3cc(F)cc(F)c3)cc(-c3cc(F)cc(F)c3)c2)c2ccc3ccc4c(N(c5cccc(C#N)c5)c5cc(-c6cc(F)cc(F)c6)cc(-c6cc(F)cc(F)c6)c5)ccc5ccc2c3c54)c1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
CDC7 O00311 1/20 0.31
PGR P06401 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
FASN P49327 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
SCHEMBL12640517 0.93 GABRG2 (0.40) GABRG2GABRB3GABRA5GABRA3PGR
SCHEMBL12640508 0.92 GABRG2 (0.36) GABRG2GABRB3GABRA5GABRA3CDC7
SCHEMBL12576122 0.91
SCHEMBL12640433 0.89 ABCG2 (0.36) GABRG2GABRB3GABRA5GABRA3CDC7
SCHEMBL12640488 0.88 PGR (0.34) PGRMEN1ALDH1A1MAPTKMT2A
SCHEMBL12640421 0.88 ALDH1A1 (0.36) GABRG2GABRB3GABRA5GABRA3PGR
SCHEMBL12640562 0.87 NOS1 (0.31) GABRG2GABRB3GABRA5GABRA3PGR
SCHEMBL12640526 0.87 PTGDR2 (0.33)
SCHEMBL179187 0.86 ENPP2 (0.38) PGRKDM4EMEN1ALDH1A1LMNA
SCHEMBL12640477 0.86 KCNN4 (0.33) PGRKDM4EMEN1ALDH1A1LMNA

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 GABRG2 2824/4885GABRB3 2133/4885GABRA5 1538/4885

“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.