SCHEMBL22985274

SCHEMBL22985274

N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)ccc2-c2ccc(-c3ccc(C(F)(F)F)cc3C#N)cc2-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4ccc(-c5ccc6c(c5)c5cc(-c7ccccc7C#N)ccc5n6-c5cc(-c6ccc(C(F)(F)F)cc6C#N)ccc5-c5ccc(C#N)cc5-n5c6ccc(-c7ccccc7C#N)cc6c6cc(-c7ccccc7C#N)ccc65)c(C#N)c4)ccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
PTPN5 P54829 2/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MAT2A P31153 1/20 0.35
XDH P47989 1/20 0.35
ENPP1 P22413 1/20 0.34
CETP P11597 1/20 0.34
GRIN1 Q05586 3/20 0.33
GRIN2B Q13224 3/20 0.33
NR3C1 P04150 1/20 0.32
SCN9A Q15858 1/20 0.32
AR P10275 1/20 0.31
KIF11 P52732 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
SCHEMBL22985504 0.95 ALOX5AP (0.39) PTPN5ALOX5APFEN1GABRA1GABRG2
SCHEMBL22985136 0.93 PTPN5 (0.38) PDK2PTPN5ALOX5APFEN1PTGDR2
SCHEMBL22985051 0.93 PTPN5 (0.38) PDK2PTPN5ALOX5APFEN1GABRA1
SCHEMBL22985273 0.93 ALOX5AP (0.40) PDK2PTPN5ALOX5APFEN1PTGDR2
SCHEMBL22985536 0.92 ALOX5AP (0.39) PDK2PTPN5ALOX5APFEN1PTGDR2
SCHEMBL22985298 0.91 ALOX5AP (0.38) PDK2PTPN5ALOX5APFEN1PTGDR2
SCHEMBL22985137 0.91 ALOX5AP (0.38) PTPN5ALOX5APFEN1GABRA1GABRG2
SCHEMBL22985053 0.91 ALOX5AP (0.38) PTPN5ALOX5APFEN1GABRA1GABRG2
SCHEMBL22985330 0.91 KIF11 (0.40) PDK2PTPN5ALOX5APFEN1PTGDR2
SCHEMBL22985332 0.91 ALOX5AP (0.40) PTPN5ALOX5APFEN1PTGDR2XDH

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 PDK2 764/4885PTPN5 4289/4885ALOX5AP 2567/4885

“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.