SCHEMBL22985298

SCHEMBL22985298

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)ccc2-c2ccc(-c3ccc(C(F)(F)F)cc3C#N)cc2-n2c3ccccc3c3cc(-c4cc(C#N)cc(C#N)c4)ccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
KIF11 P52732 2/20 0.33
PTPN5 P54829 1/20 0.33
RXRA P19793 1/20 0.32
RXRG P48443 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
PDK2 Q15119 2/20 0.31
XDH P47989 1/20 0.31
AR P10275 1/20 0.31
CETP P11597 1/20 0.31
STS P08842 1/20 0.31
PTGER4 P35408 1/20 0.31
MAT2A P31153 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
SCHEMBL22985365 0.96 ALOX5AP (0.37) ALOX5APFEN1KIF11PTPN5RXRA
SCHEMBL22985080 0.96 ALOX5AP (0.37) ALOX5APFEN1KIF11PTPN5RXRA
SCHEMBL22985272 0.95 ALOX5AP (0.41) ALOX5APFEN1KIF11PTPN5RXRA
SCHEMBL22985505 0.94 ALOX5AP (0.38) ALOX5APFEN1KIF11PTPN5RXRA
SCHEMBL22985330 0.94 KIF11 (0.40) ALOX5APFEN1KIF11PTPN5PTGDR2
SCHEMBL22985332 0.94 ALOX5AP (0.40) ALOX5APFEN1KIF11PTPN5PTGDR2
SCHEMBL22985536 0.94 ALOX5AP (0.39) ALOX5APFEN1KIF11PTPN5PTGDR2
SCHEMBL22985466 0.93 ALOX5AP (0.41) ALOX5APFEN1KIF11PTPN5PTGDR2
SCHEMBL22985465 0.93 ALOX5AP (0.41) ALOX5APFEN1KIF11PTPN5PTGDR2
SCHEMBL22985530 0.93 ALOX5AP (0.38) ALOX5APFEN1KIF11PTPN5RXRA

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.