SCHEMBL22985394

SCHEMBL22985394

N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2ccc(C(F)(F)F)cc2C#N)cc1-c1c(C#N)cccc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
KIF11 P52732 1/20 0.34
XDH P47989 2/20 0.34
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
MAT2A P31153 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PTGES O14684 1/20 0.32
KDM1A O60341 2/20 0.32
STS P08842 1/20 0.32
CETP P11597 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AR P10275 1/20 0.31
PTPN5 P54829 1/20 0.31

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
SCHEMBL22985712 0.97 ALOX5AP (0.39) ALOX5APFEN1KIF11XDHGABRA1
SCHEMBL22985395 0.96 ALOX5AP (0.37) ALOX5APFEN1KIF11XDHGABRA1
SCHEMBL22985668 0.94 KIF11 (0.38) ALOX5APFEN1KIF11XDHGABRA1
SCHEMBL21399611 0.94 ALOX5AP (0.37) ALOX5APFEN1KIF11XDHGABRA1
SCHEMBL22985629 0.94 ALOX5AP (0.41) ALOX5APFEN1XDHGABRA1GABRG2
SCHEMBL22985666 0.94 ALOX5AP (0.36) ALOX5APFEN1KIF11XDHGABRA1
SCHEMBL20849164 0.93 AR (0.35) ALOX5APFEN1KIF11GABRA1GABRG2
SCHEMBL22985714 0.93 ALOX5AP (0.38) ALOX5APFEN1KIF11XDHGABRA1
SCHEMBL20849515 0.92 ALOX5AP (0.35) ALOX5APFEN1KIF11XDHMAT2A
SCHEMBL22985718 0.92 ALOX5AP (0.38) ALOX5APFEN1KIF11XDHGABRA1

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-10919880-B2 Organic molecules, in particular for use in optoelectronic devices CYNORA GMBH (DE) 2021-02-16 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-10919880-B2 Organic molecules, in particular for use in optoelectronic devices OCIAD1, OCIAD2, POU2F1 ALOX5AP 2567/4885FEN1 2939/4885KIF11 525/4885

“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.