SCHEMBL22985136

SCHEMBL22985136

N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3C#N)cc2-n2c3ccccc3c3cc(-c4cccc(C#N)c4)ccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
PDK2 Q15119 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CETP P11597 1/20 0.35
MAT2A P31153 1/20 0.34
XDH P47989 1/20 0.34
ENPP1 P22413 1/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2B Q13224 3/20 0.33
KIF11 P52732 2/20 0.32
SCN9A Q15858 1/20 0.32
SGK1 O00141 1/20 0.32
TRPA1 O75762 1/20 0.32
PRF1 P14222 1/20 0.32
CHEK1 O14757 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
SCHEMBL22985051 0.96 PTPN5 (0.38) PTPN5ALOX5APFEN1PDK2PTGDR2
SCHEMBL22985069 0.96 PTPN5 (0.39) PTPN5ALOX5APFEN1PDK2PTGDR2
SCHEMBL22985350 0.96 ALOX5AP (0.39) PTPN5ALOX5APFEN1PDK2PTGDR2
SCHEMBL22985080 0.95 ALOX5AP (0.37) PTPN5ALOX5APFEN1PDK2PTGDR2
SCHEMBL22985071 0.95 KIF11 (0.38) PTPN5ALOX5APFEN1PDK2PTGDR2
SCHEMBL22985065 0.94 ALOX5AP (0.39) PTPN5ALOX5APFEN1PTGDR2XDH
SCHEMBL22985241 0.94 ALOX5AP (0.40) PTPN5ALOX5APFEN1PTGDR2XDH
SCHEMBL22985152 0.94 ALOX5AP (0.40) PTPN5ALOX5APFEN1PTGDR2CETP
SCHEMBL22985344 0.93 AR (0.39) PTPN5ALOX5APFEN1PDK2PTGDR2
SCHEMBL22985274 0.93 PDK2 (0.37) PTPN5ALOX5APFEN1PDK2PTGDR2

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 PTPN5 4289/4885ALOX5AP 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.