SCHEMBL21399697

SCHEMBL21399697

N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C(F)(F)F)cc1-c1c(C#N)cccc1-n1c2ccccc2c2cc(C#N)ccc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.35
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR2 P34972 1/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
MAT2A P31153 1/20 0.32
HRH1 P35367 2/20 0.32
HTR6 P50406 2/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
AR P10275 1/20 0.31
SMO Q99835 1/20 0.31
CYP3A4 P08684 1/20 0.31
TDO2 P48775 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 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
SCHEMBL21399699 0.96 TSHR (0.35) KIF11TSHRSMN1; SMN2MAT2APTGDR2
SCHEMBL21399698 0.94 KIF11 (0.38) KIF11TSHRSMN1; SMN2CNR2PPARG
SCHEMBL21399732 0.93 KIF11 (0.40) KIF11TSHRSMN1; SMN2CNR2PPARG
SCHEMBL21399489 0.92 ALOX5AP (0.35) KIF11MAT2APTGDR2KDM4EAR
SCHEMBL22985395 0.92 ALOX5AP (0.37) KIF11MAT2APTGDR2KDM4EAR
SCHEMBL21399292 0.91 PTPN5 (0.39) KIF11SMN1; SMN2MAT2APTGDR2KDM4E
SCHEMBL21399262 0.90 KIF11 (0.33) KIF11TSHRSMN1; SMN2CNR2PPARG
SCHEMBL21399249 0.90 PPARG (0.36) KIF11TSHRSMN1; SMN2CNR2PPARG
SCHEMBL21399248 0.90 PPARG (0.36) KIF11TSHRSMN1; SMN2CNR2PPARG
SCHEMBL21399497 0.90 PPARG (0.38) KIF11TSHRSMN1; SMN2CNR2PPARG

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 4281/4885TSHR 260/4885SMN1; SMN2 3631/4885

“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.