SCHEMBL22985083

SCHEMBL22985083

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
DGAT1 O75907 1/20 0.36
SOAT1 P35610 1/20 0.36
KCNH2 Q12809 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.34
KDM1A O60341 3/20 0.33
PDK2 Q15119 1/20 0.33
PTPN5 P54829 2/20 0.32
XDH P47989 2/20 0.32
STS P08842 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL22985364 0.96 KIF11 (0.42) KIF11ALOX5APFEN1DGAT1SOAT1
SCHEMBL22985296 0.96 KIF11 (0.44) KIF11ALOX5APFEN1DGAT1SOAT1
SCHEMBL22985508 0.96 ALOX5AP (0.42) KIF11ALOX5APFEN1DGAT1SOAT1
SCHEMBL22985527 0.96 KIF11 (0.44) KIF11ALOX5APFEN1DGAT1SOAT1
SCHEMBL22985071 0.95 KIF11 (0.38) KIF11ALOX5APFEN1DGAT1SOAT1
SCHEMBL22985236 0.95 ALOX5AP (0.43) KIF11ALOX5APFEN1DGAT1SOAT1
SCHEMBL22985343 0.94 AR (0.39) KIF11ALOX5APFEN1DGAT1SOAT1
SCHEMBL22985510 0.94 ALOX5AP (0.40) KIF11ALOX5APFEN1DGAT1SOAT1
SCHEMBL22985131 0.94 ALOX5AP (0.40) KIF11ALOX5APFEN1DGAT1SOAT1
SCHEMBL22985350 0.93 ALOX5AP (0.39) KIF11ALOX5APFEN1PTGDR2PDK2

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.