SCHEMBL21399779

SCHEMBL21399779

N#Cc1ccc(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c(-c2ccc(C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.37
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
KIF11 P52732 2/20 0.34
AR P10275 4/20 0.34
NR3C1 P04150 1/20 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
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 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
SCHEMBL21399608 0.97 PTPN5 (0.39) PTPN5ALOX5APFEN1KIF11AR
SCHEMBL22985137 0.96 ALOX5AP (0.38) PTPN5ALOX5APFEN1KIF11AR
SCHEMBL21399471 0.96 PTPN5 (0.37) PTPN5ALOX5APFEN1KIF11AR
SCHEMBL21399762 0.95 ALOX5AP (0.38) PTPN5ALOX5APFEN1KIF11AR
SCHEMBL22985053 0.94 ALOX5AP (0.38) PTPN5ALOX5APFEN1KIF11AR
SCHEMBL22985068 0.94 ALOX5AP (0.39) PTPN5ALOX5APFEN1KIF11AR
SCHEMBL20848728 0.94 AR (0.38) PTPN5ALOX5APFEN1KIF11AR
SCHEMBL22985134 0.93 ALOX5AP (0.40) PTPN5ALOX5APFEN1KIF11AR
SCHEMBL20848896 0.93 PTPN5 (0.39) PTPN5ALOX5APFEN1KIF11AR
SCHEMBL22985065 0.92 ALOX5AP (0.39) PTPN5ALOX5APFEN1KIF11AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NR2E3, FOXO3 PTPN5 3267/4885ALOX5AP 4022/4885FEN1 2606/4885

“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.