SCHEMBL21399262

SCHEMBL21399262

N#Cc1cc(C#N)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C(F)(F)F)cc2-c2c(C#N)cccc2-n2c3ccccc3c3cc(-c4c(C#N)cc(C#N)cc4C#N)ccc32)c(C#N)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AR P10275 1/20 0.31
CNR2 P34972 1/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
PPARG P37231 2/20 0.30
PPARA Q07869 2/20 0.30
MAT2A P31153 1/20 0.30
PTPN5 P54829 1/20 0.30
HRH1 P35367 1/20 0.30
HTR6 P50406 1/20 0.30
ELANE P08246 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
SCHEMBL21399621 0.96 KIF11 (0.34) KIF11KDM4ETSHRSMN1; SMN2AR
SCHEMBL22985721 0.94 ALOX5AP (0.36) KIF11PTPN5
SCHEMBL21399612 0.94 PTPN5 (0.33) KIF11KDM4ETSHRSMN1; SMN2AR
SCHEMBL20849571 0.92 AR (0.34) AR
SCHEMBL21399489 0.92 ALOX5AP (0.35) KIF11KDM4EARPTGDR2MAT2A
SCHEMBL20849231 0.92 RXRA (0.33) KDM4E
SCHEMBL21399292 0.92 PTPN5 (0.39) KIF11KDM4ESMN1; SMN2PTGDR2MAT2A
SCHEMBL21399246 0.90 SMN1; SMN2 (0.34) KIF11KDM4ETSHRSMN1; SMN2AR
SCHEMBL21399303 0.90 PTPN5 (0.38) KIF11KDM4ETSHRSMN1; SMN2AR
SCHEMBL21399697 0.90 KIF11 (0.35) KIF11KDM4ETSHRSMN1; SMN2AR

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-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NR2E3, FOXO3 KIF11 4281/4885KDM4E 2280/4885TSHR 260/4885

“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.