SCHEMBL21399489

SCHEMBL21399489

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C(F)(F)F)cc2-c2c(C#N)cccc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c(C#N)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.33
KIF11 P52732 2/20 0.32
XDH P47989 1/20 0.32
STS P08842 1/20 0.32
PTPN5 P54829 2/20 0.31
MAT2A P31153 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KDM1A O60341 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
AR P10275 1/20 0.30
CETP P11597 1/20 0.30
PTGER4 P35408 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
SCHEMBL22985666 0.97 ALOX5AP (0.36) ALOX5APFEN1PTGDR2KIF11XDH
SCHEMBL21399611 0.96 ALOX5AP (0.37) ALOX5APFEN1PTGDR2KIF11XDH
SCHEMBL22985395 0.95 ALOX5AP (0.37) ALOX5APFEN1PTGDR2KIF11XDH
SCHEMBL20849556 0.94 AR (0.34) ALOX5APFEN1XDHSTSAR
SCHEMBL22985712 0.94 ALOX5AP (0.39) ALOX5APFEN1PTGDR2KIF11XDH
SCHEMBL22985670 0.93 ALOX5AP (0.36) ALOX5APFEN1PTGDR2KIF11XDH
SCHEMBL22985721 0.93 ALOX5AP (0.36) ALOX5APFEN1KIF11XDHPTPN5
SCHEMBL22985220 0.92 PTPN5 (0.36) ALOX5APFEN1PTGDR2XDHPTPN5
SCHEMBL20849230 0.92 TACR1 (0.33) ALOX5APFEN1XDHSTS
SCHEMBL21399262 0.92 KIF11 (0.33) PTGDR2KIF11PTPN5MAT2AKDM4E

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 ALOX5AP 4022/4885FEN1 2606/4885PTGDR2 1288/4885

“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.