SCHEMBL20848878

SCHEMBL20848878

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(C#N)c2-c2c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cccc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c(C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PGR P06401 2/20 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
PTPN5 P54829 1/20 0.31
MAT2A P31153 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
XDH P47989 1/20 0.31
TRPA1 O75762 1/20 0.30
KIF11 P52732 1/20 0.30
STS P08842 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
SCHEMBL20848818 0.97 ALOX5AP (0.35) ARALOX5APFEN1PGRGABRA1
SCHEMBL22985044 0.96 AR (0.37) ARALOX5APFEN1PGRGABRA1
SCHEMBL22985147 0.95 AR (0.36) ARPGRGABRA1GABRG2GABRB3
SCHEMBL22985308 0.94 ALOX5AP (0.36) ARALOX5APFEN1PGRGABRA1
SCHEMBL20848502 0.94 AR (0.37) ARALOX5APFEN1PGRGABRA1
SCHEMBL20849216 0.93 AR (0.40) ARALOX5APFEN1PGRGABRA1
SCHEMBL20848859 0.93 KIF11 (0.32) ARGABRA1GABRG2GABRB3GABRA5
SCHEMBL22985043 0.92 AR (0.37) ARALOX5APFEN1PGRMAT2A
SCHEMBL22985102 0.92 AR (0.37) ARALOX5APFEN1PGRGABRA1
SCHEMBL22985447 0.91 AR (0.39) ARALOX5APFEN1PGRPTPN5

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-10978646-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-13 US disclosed
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-28 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 (2 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-10978646-B2 Organic molecules for use in optoelectronic devices OCIAD2, OCIAD1, POU2F1 AR 3706/4885ALOX5AP 3630/4885FEN1 3586/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 AR 3706/4885ALOX5AP 3630/4885FEN1 3586/4885

“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.