SCHEMBL21399790

SCHEMBL21399790

N#Cc1ccc(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c(-c2cccc(C(F)(F)F)c2-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.41
PGR P06401 2/20 0.36
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
NR3C1 P04150 1/20 0.34
ACP1 P24666 1/20 0.34
SSTR2 P30874 1/20 0.33
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
HSD17B10 Q99714 3/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN5 P54829 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
SCHEMBL21399808 0.97 AR (0.43) ARPGRGABRA1GABRG2GABRB3
SCHEMBL21399669 0.95 AR (0.40) ARPGRGABRA1GABRG2GABRB3
SCHEMBL21399617 0.92 AR (0.38) ARPGRACP1TRPA1
SCHEMBL20848599 0.91 AR (0.41) ARPGRGABRA1GABRG2GABRB3
SCHEMBL21399319 0.91 AR (0.40) ARPGRGABRA1GABRG2GABRB3
SCHEMBL21399667 0.91 KIF11 (0.39) ARPGRACP1PTPN5
SCHEMBL21399809 0.90 PDK2 (0.39) ARGABRG2GABRB3GABRA5GABRA3
SCHEMBL21399524 0.90 AR (0.40) ARPGRGABRA1GABRG2GABRB3
SCHEMBL21399741 0.90 AR (0.45) ARPGRACP1TRPA1
SCHEMBL21399320 0.90 AR (0.34) ARPGRGABRG2GABRB3GABRA5

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 AR 1991/4885PGR 1956/4885GABRA1 2620/4885

“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.