SCHEMBL22985474

SCHEMBL22985474

N#Cc1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)ccc2-c2ccc(C(F)(F)F)cc2C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.35
PTPN5 P54829 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PDK2 Q15119 2/20 0.32
AR P10275 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
KCNH2 Q12809 1/20 0.31
XDH P47989 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL22985063 0.97 KIF11 (0.33) KIF11PTPN5ALOX5APFEN1PDK2
SCHEMBL22985174 0.95 KIF11 (0.40) KIF11PTPN5ALOX5APFEN1PDK2
SCHEMBL22985168 0.95 KIF11 (0.36) KIF11PTPN5ALOX5APFEN1PDK2
SCHEMBL22985135 0.94 PTPN5 (0.36) KIF11PTPN5ALOX5APFEN1PDK2
SCHEMBL22985170 0.93 PTPN5 (0.36) KIF11PTPN5ALOX5APFEN1PDK2
SCHEMBL22985154 0.92 ALOX5AP (0.33) KIF11ALOX5APFEN1DGAT1SOAT1
SCHEMBL22985072 0.92 AR (0.37) KIF11ALOX5APFEN1ARPTGDR2
SCHEMBL22985171 0.92 ALOX5AP (0.37) KIF11PTPN5ALOX5APFEN1AR
SCHEMBL22985173 0.92 ALOX5AP (0.34) KIF11ALOX5APFEN1PTGDR2
SCHEMBL22985693 0.92 ALOX5AP (0.34) KIF11ALOX5APFEN1PTGDR2

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 525/4885PTPN5 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.