SCHEMBL22822352

SCHEMBL22822352

N#Cc1cc(-c2c(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc(C#N)cc2-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PGR P06401 1/20 0.32
▸ TAS2R14 Q9NYV8 1/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ PDPK1 O15530 1/20 0.32
▸ CTSK P43235 1/20 0.31
▸ DRD2 P14416 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ XDH P47989 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
SCHEMBL20616848 0.93 ALDH1A1 (0.38) KDM4EATML3MBTL1KIF11CTSK
SCHEMBL21547116 0.91 MAT2A (0.36) RXRARXRGKDM4EATML3MBTL1
SCHEMBL22564579 0.91 RXRA (0.38) RXRARXRGKDM4EATML3MBTL1
SCHEMBL21414266 0.91 KDM4E (0.41) KDM4EATML3MBTL1PGR
SCHEMBL20617097 0.90 RXRA (0.38) RXRARXRGKDM4EATML3MBTL1
SCHEMBL22564577 0.88 KIF11 (0.44) RXRARXRGKDM4EL3MBTL1TAS2R14
SCHEMBL22156877 0.87 PGR (0.39) KDM4EATML3MBTL1PGR
SCHEMBL22822270 0.87 RXRA (0.33) RXRARXRGKDM4EATML3MBTL1
SCHEMBL20617402 0.87 RXRA (0.33) RXRARXRGKDM4EATML3MBTL1
SCHEMBL21546635 0.87 KDM4E (0.39) KDM4EATML3MBTL1PGRALDH1A1

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 2 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

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 3138/4885KDM4E 4274/4885
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 RXRA 3876/4885RXRG 3543/4885KDM4E 3454/4885

“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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