SCHEMBL21032238

SCHEMBL21032238

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2cccc(C#N)c2)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.38
KIF11 P52732 1/20 0.37
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
GRM2 Q14416 1/20 0.35
ADORA2A P29274 3/20 0.35
ADORA1 P30542 3/20 0.35
ADORA2B P29275 2/20 0.35
TRPA1 O75762 1/20 0.35
SGK1 O00141 1/20 0.35
CLK4 Q9HAZ1 2/20 0.35
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
PGR P06401 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAT2A P31153 1/20 0.34
MAP4K4 O95819 1/20 0.33
FNTA P49354 1/20 0.33

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
SCHEMBL21546798 0.95 PTPN5 (0.38) PTPN5KIF11CNR2CNR1GRM2
SCHEMBL22760739 0.92 PTPN5 (0.38) PTPN5KIF11CNR2CNR1GRM2
SCHEMBL21414203 0.90 KIF11 (0.41) KIF11GRIA2GRIA4PGRALDH1A1
SCHEMBL21546801 0.90 PTPN5 (0.37) PTPN5KIF11CNR2CNR1ADORA2A
SCHEMBL24417513 0.89 PTPN5 (0.38) PTPN5KIF11CNR2CNR1GRM2
SCHEMBL21546816 0.89 PTPN5 (0.43) PTPN5KIF11ADORA2AADORA1ADORA2B
SCHEMBL22761224 0.88 PTPN5 (0.42) PTPN5KIF11CNR2CNR1GRM2
SCHEMBL21840875 0.87 KIF11 (0.37) KIF11GRIA2GRIA4PGRALDH1A1
SCHEMBL21547025 0.87 MAP4K4 (0.43) PTPN5ADORA2AADORA1ADORA2BCLK4
SCHEMBL21546764 0.87 CLK4 (0.40) ADORA2AADORA1ADORA2BCLK4GRIA2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3666779-B1 ORGANIC ELECTROLUMINESCENT DEVICES COMPRISING HOST COMPOUNDS CYNORA GMBH (DE) 2021-10-13 EP disclosed
US-10981930-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-20 US disclosed
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-10 US disclosed
US-20200358002-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-11-12 US disclosed
US-20200190121-A1 ORGANIC ELECTROLUMINESCENT DEVICES COMPRISING HOST COMPOUNDS SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-18 US disclosed
EP-3666779-A1 ORGANIC ELECTROLUMINESCENT DEVICES COMPRISING HOST COMPOUNDS cynora GmbH (DE) 2020-06-17 EP disclosed
EP-3478793-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-11-06 EP disclosed
WO-2019101594-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-05-31 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 (4 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-20200190121-A1 ORGANIC ELECTROLUMINESCENT DEVICES COMPRISING HOST COMPOUNDS RUVBL1, RUVBL2, SSB PTPN5 1874/4885KIF11 2465/4885CNR2 1074/4885
US-20200358002-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, AOX1, IKZF3 PTPN5 1232/4885KIF11 3589/4885CNR2 2302/4885
US-10981930-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, EPCAM PTPN5 4550/4885KIF11 2801/4885CNR2 1733/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM PTPN5 4550/4885KIF11 2801/4885CNR2 1733/4885

“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.