SCHEMBL20617399

SCHEMBL20617399

N#Cc1cc(-c2cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(C#N)cc2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PDPK1 O15530 1/20 0.32
▸ RXRA P19793 1/20 0.31
▸ RXRG P48443 1/20 0.31
▸ XDH P47989 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
SCHEMBL22564224 0.94 KDM4E (0.32) KDM4EALDH1A1PDPK1RXRARXRG
SCHEMBL21414206 0.92 KDM4E (0.36) KDM4EALDH1A1
SCHEMBL20617394 0.89 PDPK1 (0.32) PDPK1RXRARXRGXDH
SCHEMBL22564558 0.87 RXRA (0.33) PDPK1RXRARXRGXDH
SCHEMBL21738621 0.86 CYP1A2 (0.30) PDPK1
SCHEMBL20617094 0.86 RXRA (0.35) PDPK1RXRARXRGXDH
SCHEMBL21546473 0.86 PGR (0.38) KDM4EALDH1A1
SCHEMBL22564520 0.86 RXRA (0.31) RXRARXRG
SCHEMBL22156784 0.85 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL20617401 0.84 RXRA (0.36) KDM4EALDH1A1PDPK1RXRARXRG

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 KDM4E 4274/4885ALDH1A1 53/4885PDPK1 4315/4885
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KDM4E 3454/4885ALDH1A1 1180/4885PDPK1 4178/4885

“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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