SCHEMBL22985335

SCHEMBL22985335

N#Cc1cc(C#N)c(-c2ccc3c(c2)c2cc(-c4c(C#N)cc(C#N)cc4C#N)ccc2n3-c2cc(C#N)ccc2-c2ccc(-c3ccc(C(F)(F)F)cc3C#N)cc2-n2c3ccc(-c4c(C#N)cc(C#N)cc4C#N)cc3c3cc(-c4c(C#N)cc(C#N)cc4C#N)ccc32)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
KIF11 P52732 1/20 0.36
STS P08842 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
KCNH2 Q12809 1/20 0.32
XDH P47989 2/20 0.32
KDM1A O60341 2/20 0.32
RXRA P19793 1/20 0.30
RXRG P48443 1/20 0.30
MAT2A P31153 1/20 0.30
PTPN1 P18031 1/20 0.30
PTPN6 P29350 1/20 0.30
PTPN11 Q06124 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 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
SCHEMBL22985034 0.96 ALOX5AP (0.40) ALOX5APFEN1KIF11STSPTGDR2
SCHEMBL22985196 0.96 ALOX5AP (0.40) ALOX5APFEN1KIF11STSPTGDR2
SCHEMBL22985316 0.96 ALOX5AP (0.43) ALOX5APFEN1KIF11STSPTGDR2
SCHEMBL22985744 0.95 ALOX5AP (0.38) ALOX5APFEN1KIF11STSPTGDR2
SCHEMBL22985467 0.93 ALOX5AP (0.44) ALOX5APFEN1KIF11STSPTGDR2
SCHEMBL22985463 0.93 ALOX5AP (0.44) ALOX5APFEN1KIF11STSPTGDR2
SCHEMBL22985272 0.92 ALOX5AP (0.41) ALOX5APFEN1KIF11STSPTGDR2
SCHEMBL22985119 0.92 ALOX5AP (0.41) ALOX5APFEN1KIF11STSPTGDR2
SCHEMBL22985366 0.92 ALOX5AP (0.42) ALOX5APFEN1KIF11STSPTGDR2
SCHEMBL22985508 0.92 ALOX5AP (0.42) ALOX5APFEN1KIF11STSPTGDR2

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.