SCHEMBL22564562

SCHEMBL22564562

N#Cc1cc(-c2cc(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)c(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)cc2C#N)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.36
RXRA P19793 1/20 0.35
RXRG P48443 1/20 0.35
XDH P47989 1/20 0.34
CYP1A2 P05177 1/20 0.34
METAP2 P50579 1/20 0.34
MAT2A P31153 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RORC P51449 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
CTSS P25774 1/20 0.32
AR P10275 2/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
CNR2 P34972 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 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
SCHEMBL20617049 0.95 KIF11 (0.34) KIF11RXRARXRGXDHCYP1A2
SCHEMBL19903505 0.95 KIF11 (0.39) KIF11XDHKDM4ERORCALOX5AP
SCHEMBL22564561 0.94 RXRA (0.39) KIF11RXRARXRGXDHCYP1A2
SCHEMBL22564394 0.94 KIF11 (0.36) KIF11RXRARXRGXDHCYP1A2
SCHEMBL22822133 0.94 RXRA (0.35) KIF11RXRARXRGXDHCYP1A2
SCHEMBL22564564 0.94 KIF11 (0.41) KIF11RXRARXRGXDHCYP1A2
SCHEMBL20617112 0.92 RXRA (0.39) KIF11RXRARXRGXDHCYP1A2
SCHEMBL22564361 0.92 RXRA (0.34) KIF11RXRARXRGXDHCYP1A2
SCHEMBL22564362 0.92 RXRA (0.34) KIF11RXRARXRGXDHCYP1A2
SCHEMBL22822680 0.92 RXRA (0.39) KIF11RXRARXRGXDHCYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021473-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2021-06-01 US disclosed
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-24 US disclosed
EP-3642302-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP 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 (2 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-11021473-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OCIAD2 KIF11 2841/4885RXRA 3552/4885RXRG 3138/4885
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 4320/4885RXRA 3876/4885RXRG 3543/4885

“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.