SCHEMBL22564577

SCHEMBL22564577

Cn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(C#N)cc(-n4c5ccccc5c5ccc6c(c7ccccc7n6C)c54)c3-c3cc(C#N)cc(C(F)(F)F)c3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.44
▸ RXRA P19793 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ NPY5R Q15761 1/20 0.32
▸ GPR3 P46089 1/20 0.31
▸ MAT2A P31153 1/20 0.31
▸ GABRP O00591 1/20 0.31
▸ GABRD O14764 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB1 P18505 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ GABRA2 P47869 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ GABRA4 P48169 1/20 0.31
▸ GABRE P78334 1/20 0.31
▸ GABRA6 Q16445 1/20 0.31
▸ GABRG1 Q8N1C3 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
SCHEMBL20616850 0.93 KIF11 (0.46) KIF11MAT2AKDM4EMEN1ALDH1A1
SCHEMBL21547036 0.91 KIF11 (0.43) KIF11NPY5RMAT2AMEN1MAPT
SCHEMBL21414201 0.91 GPR3 (0.36) KIF11GPR3GABRPGABRDGABRA1
SCHEMBL22564578 0.90 KIF11 (0.44) KIF11RXRARXRGGPR3MAT2A
SCHEMBL20617093 0.89 KIF11 (0.43) KIF11RXRARXRGNPY5RGPR3
SCHEMBL22822352 0.88 RXRA (0.35) KIF11RXRARXRGXDHTAS2R14
SCHEMBL22822272 0.87 KIF11 (0.41) KIF11RXRARXRGNPY5RXDH
SCHEMBL22822547 0.87 KIF11 (0.41) KIF11RXRARXRGNPY5RXDH
SCHEMBL21546739 0.87 TP53 (0.35) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL22564419 0.85 KIF11 (0.39) KIF11RXRARXRG

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.

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