SCHEMBL22564558

SCHEMBL22564558

N#Cc1cc(-c2c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)cc(C#N)cc2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ KIF11 P52732 1/20 0.32
▸ PDPK1 O15530 1/20 0.32
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2E1 P05181 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C8 P10632 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP4B1 P13584 1/20 0.31
▸ CYP2B6 P20813 1/20 0.31
▸ CYP3A5 P20815 1/20 0.31
▸ CYP2A7 P20853 1/20 0.31
▸ CYP3A7 P24462 1/20 0.31
▸ CYP2F1 P24903 1/20 0.31
▸ CYP2C18 P33260 1/20 0.31
▸ CYP2C19 P33261 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
SCHEMBL20617116 0.92 CYP1A1 (0.35) KIF11PDPK1CYP1A1CYP1A2CYP1B1
SCHEMBL21414108 0.91 TNKS (0.35) TNKS
SCHEMBL22760771 0.90 MAT2A (0.35) KIF11PDPK1CYP1A1CYP1A2CYP2E1
SCHEMBL20617094 0.89 RXRA (0.35) RXRARXRGKIF11PDPK1CYP1A1
SCHEMBL22564557 0.88 RXRA (0.33) RXRARXRGKIF11PDPK1CYP1A1
SCHEMBL22156449 0.87 TNKS (0.33) TNKS
SCHEMBL22564224 0.87 KDM4E (0.32) RXRARXRGPDPK1XDH
SCHEMBL20617399 0.87 KDM4E (0.32) RXRARXRGPDPK1XDH
SCHEMBL22564520 0.85 RXRA (0.31) RXRARXRG
SCHEMBL22157690 0.84 KIF11 (0.34) KIF11CYP1A1CYP1A2CYP2E1CYP3A4

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 3138/4885KIF11 2841/4885
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 RXRA 3876/4885RXRG 3543/4885KIF11 4320/4885

“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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