SCHEMBL12640562

SCHEMBL12640562

N#Cc1cccc(N(c2cc(-c3c(F)cccc3F)cc(-c3c(F)cccc3F)c2)c2ccc3ccc4c(N(c5cccc(C#N)c5)c5cc(-c6c(F)cccc6F)cc(-c6c(F)cccc6F)c5)ccc5ccc2c3c54)c1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
SYK P43405 1/20 0.31
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
PGR P06401 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
SCHEMBL12576282 0.91 NOS1 (0.31) NOS1NOS2
SCHEMBL12640519 0.90 AR (0.34) ESR1ESR2
SCHEMBL12640520 0.89 GABRG2 (0.38) GABRG2GABRB3GABRA5GABRA3
SCHEMBL12640478 0.87 GABRG2 (0.32) GABRG2GABRB3GABRA5GABRA3PGR
SCHEMBL12640532 0.86 MAPK14 (0.32) PGR
SCHEMBL12640508 0.86 GABRG2 (0.36) GABRG2GABRB3GABRA5GABRA3PGR
SCHEMBL12640517 0.85 GABRG2 (0.40) GABRG2GABRB3GABRA5GABRA3PGR
SCHEMBL179187 0.85 ENPP2 (0.38) PGR
SCHEMBL12640421 0.85 ALDH1A1 (0.36) GABRG2GABRB3GABRA5GABRA3PGR
SCHEMBL12640488 0.85 PGR (0.34) PGR

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 NOS1 1348/4885NOS2 854/4885SYK 1602/4885

“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.