SCHEMBL22564568

SCHEMBL22564568

N#Cc1cc(-c2cc(-n3c4ccccc4c4ccc(C#N)cc43)c(C#N)cc2-n2c3ccccc3c3ccc(C#N)cc32)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
RXRG P48443 1/20 0.35
XDH P47989 1/20 0.34
KIF11 P52732 2/20 0.34
PDPK1 O15530 1/20 0.33
ENPP1 P22413 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
CYP1A2 P05177 1/20 0.32
METAP2 P50579 1/20 0.32
MAT2A P31153 1/20 0.31
KDM4E B2RXH2 1/20 0.31
AR P10275 1/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
PTPN5 P54829 1/20 0.30
TRPA1 O75762 1/20 0.30
GRM5 P41594 1/20 0.30
TDO2 P48775 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
SCHEMBL19903627 0.97 KIF11 (0.34) RXRARXRGXDHKIF11PDPK1
SCHEMBL22564569 0.96 RXRA (0.38) RXRARXRGXDHKIF11PDPK1
SCHEMBL22822308 0.94 RXRA (0.35) RXRARXRGXDHKIF11PDPK1
SCHEMBL22564426 0.94 RXRA (0.35) RXRARXRGXDHKIF11PDPK1
SCHEMBL22564390 0.94 KIF11 (0.41) RXRARXRGXDHKIF11PDPK1
SCHEMBL20617389 0.93 KIF11 (0.39) RXRARXRGXDHKIF11PDPK1
SCHEMBL19903626 0.92 KIF11 (0.36) RXRARXRGXDHKIF11PDPK1
SCHEMBL20617406 0.92 RXRA (0.34) RXRARXRGXDHKIF11PDPK1
SCHEMBL20617037 0.92 RXRA (0.39) RXRARXRGXDHKIF11PDPK1
SCHEMBL22822130 0.92 RXRA (0.34) RXRARXRGXDHKIF11PDPK1

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 RXRA 3552/4885RXRG 3138/4885XDH 430/4885
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 RXRA 3876/4885RXRG 3543/4885XDH 125/4885

“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.