SCHEMBL20111871

SCHEMBL20111871

N#Cc1cc(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.38
PGR P06401 2/20 0.36
PTPN5 P54829 1/20 0.36
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
NR3C1 P04150 1/20 0.33
KIF11 P52732 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL20111877 0.97 AR (0.40) ARPGRPTPN5ALOX5APFEN1
SCHEMBL20111874 0.94 AR (0.38) ARPGRPTPN5ALOX5APFEN1
SCHEMBL20111888 0.94 ALOX5AP (0.36) ARPGRALOX5APFEN1KIF11
SCHEMBL20112043 0.93 AR (0.36) ARPGRALOX5APFEN1KIF11
SCHEMBL25659949 0.93 ALOX5AP (0.39) ARPGRPTPN5ALOX5APFEN1
SCHEMBL25659931 0.92 AR (0.38) ARPGRALOX5APFEN1KIF11
SCHEMBL20617143 0.91 AR (0.46) ARPGRPTPN5GABRA1GABRG2
SCHEMBL25659049 0.91 KIF11 (0.34) ARPGRALOX5APFEN1KIF11
SCHEMBL21258731 0.90 AR (0.44) ARPGRALOX5APFEN1KIF11
SCHEMBL20848734 0.90 AR (0.39) ARPGRPTPN5ALOX5APFEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10971688-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2021-04-06 US disclosed
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-08-15 US disclosed
EP-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
WO-2018077492-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-03 WO 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-10971688-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OPRM1 AR 4611/4885PGR 3004/4885PTPN5 4400/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 AR 4386/4885PGR 3524/4885PTPN5 3842/4885

“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.