SCHEMBL22985668

SCHEMBL22985668

N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3C#N)cc2-c2c(C#N)cccc2-n2c3ccc(-c4ccc(C#N)cc4)cc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM1A O60341 3/20 0.33
XDH P47989 1/20 0.33
PDK2 Q15119 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PTGES O14684 1/20 0.32
TACR1 P25103 1/20 0.31
PTPN5 P54829 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
TSHR P16473 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
SCHEMBL22985670 0.96 ALOX5AP (0.36) KIF11ALOX5APFEN1DGAT1SOAT1
SCHEMBL22985712 0.95 ALOX5AP (0.39) KIF11ALOX5APFEN1DGAT1SOAT1
SCHEMBL22985394 0.94 ALOX5AP (0.39) KIF11ALOX5APFEN1DGAT1SOAT1
SCHEMBL22985718 0.94 ALOX5AP (0.38) KIF11ALOX5APFEN1XDHPTGDR2
SCHEMBL22985392 0.94 ALOX5AP (0.39) KIF11ALOX5APFEN1XDHKDM4E
SCHEMBL21399494 0.93 KIF11 (0.42) KIF11DGAT1SOAT1KCNH2KDM1A
SCHEMBL20849557 0.93 KIF11 (0.37) KIF11ALOX5APFEN1DGAT1SOAT1
SCHEMBL22985714 0.93 ALOX5AP (0.38) KIF11ALOX5APFEN1XDHKDM4E
SCHEMBL21399611 0.93 ALOX5AP (0.37) KIF11ALOX5APFEN1DGAT1SOAT1
SCHEMBL22985629 0.92 ALOX5AP (0.41) ALOX5APFEN1XDHKDM4EPTGES

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 KIF11 525/4885ALOX5AP 2567/4885FEN1 2939/4885

“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.