SCHEMBL20617093

SCHEMBL20617093

Cn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(-c4cc(C#N)cc(C(F)(F)F)c4)cc(-n4c5ccccc5c5ccc6c(c7ccccc7n6C)c54)c3C#N)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.43
▸ RXRA P19793 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ EGFR P00533 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ CYP11B2 P19099 2/20 0.32
▸ NQO2 P16083 1/20 0.32
▸ NPY5R Q15761 1/20 0.31
▸ GPR3 P46089 1/20 0.31
▸ TACR1 P25103 1/20 0.30
▸ GABRP O00591 1/20 0.30
▸ GABRD O14764 1/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ GABRB1 P18505 1/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 1/20 0.30
▸ GABRA5 P31644 1/20 0.30
▸ GABRA3 P34903 1/20 0.30
▸ GABRA2 P47869 1/20 0.30
▸ GABRB2 P47870 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
SCHEMBL21414299 0.91 EGFR (0.38) EGFRSRCCYP11B2NQO2GPR3
SCHEMBL20617084 0.90 KIF11 (0.43) KIF11RXRARXRGEGFRSRC
SCHEMBL22564577 0.89 KIF11 (0.44) KIF11RXRARXRGNQO2NPY5R
SCHEMBL20617097 0.89 RXRA (0.38) KIF11RXRARXRGKDM4EALDH1A1
SCHEMBL22564419 0.88 KIF11 (0.39) KIF11RXRARXRGEGFRSRC
SCHEMBL21546485 0.86 CYP11B2 (0.36) EGFRSRCCYP11B2NQO2GPR3
SCHEMBL22822272 0.86 KIF11 (0.41) KIF11RXRARXRGNPY5RXDH
SCHEMBL22822547 0.86 KIF11 (0.41) KIF11RXRARXRGNPY5RXDH
SCHEMBL20616850 0.85 KIF11 (0.46) KIF11KDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL20617130 0.84 RXRA (0.43) KIF11RXRARXRGTACR1KDM4E

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 4 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
WO-2019001838-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-03 — — WO 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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