SCHEMBL1416923

SCHEMBL1416923

COc1cccc(-c2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
KDM1A O60341 2/20 0.53
DYRK1A Q13627 2/20 0.49
CLK4 Q9HAZ1 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
MAPK1 P28482 1/20 0.46
TSHR P16473 3/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
HSD17B10 Q99714 2/20 0.45

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
SCHEMBL6452318 0.83 NPC1 (0.64) KDM4ESMN1; SMN2HPGDTDP1NPSR1
SCHEMBL6454205 0.82 NR1H2 (0.56) KDM4ESMN1; SMN2HPGDTDP1NPSR1
SCHEMBL30739004 0.81 RXFP1 (0.53) KDM4ESMN1; SMN2TDP1NPC1RAB9A
SCHEMBL913930 0.81 RXFP1 (0.53) KDM4ESMN1; SMN2TDP1NPC1RAB9A
SCHEMBL1416558 0.81 KDM1A (0.61) KDM4EHPGDTDP1KDM1AALDH1A1
SCHEMBL16906523 0.80 KDM1A (0.50) KDM4EHPGDTDP1NPSR1KDM1A
SCHEMBL21945050 0.80 KDM1A (0.52) KDM4ESMN1; SMN2HPGDTDP1NPSR1
SCHEMBL13458067 0.79 DYRK1A (0.61) SMN1; SMN2NPC1RAB9AKDM1ADYRK1A
SCHEMBL12293178 0.79 KDM1A (0.52) KDM4EHPGDTDP1KDM1AALDH1A1
SCHEMBL12019038 0.78 KDM1A (0.58) KDM4ESMN1; SMN2HPGDTDP1NPC1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2306789-A1 Phenyl-pyridine compounds E. I. du Pont de Nemours and Company (US) 2011-04-06 EP disclosed
EP-2306788-A1 Iridium compounds and devices made therewith E. I. du Pont de Nemours and Company (US) 2011-04-06 EP disclosed
EP-2299785-A1 Iridium compounds E. I. du Pont de Nemours and Company (US) 2011-03-23 EP disclosed
US-7595501-B2 fluorinated 2-phenylpyridine compounds complexed with iridium; improved luminescence efficiency E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-09-29 US disclosed
US-20090206326-A1 ELECTROLUMINESCENT IRIDIUM COMPOUNDS WITH FLUORINATED PHENYLPRYIDINES, PHENYLPYRIMIDINES, AND PHENYLQUINOLINES AND DEVICES MADE WITH SUCH COMPOUNDS LG CHEM, LTD. (KR) 2009-08-20 US disclosed
US-7276726-B2 Electroluminescent iridium compounds with fluorinated phenylpyridines, phenylpyrimidines, and phenylquinolines and devices made with such compounds E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-10-02 US disclosed
US-7199392-B2 Electroluminescent iridium compounds with fluorinated phenylpyridines, phenylprimidines, and phenylquinolines and devices made with such compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-04-03 US disclosed
US-7161172-B2 Electroluminescent iridium compounds with fluorinated phenylpyridines, phenylpyrimidines, and phenylquinolines and devices made with such compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-01-09 US disclosed
US-7132681-B2 Electroluminescent iridium compounds with fluorinated phenylpyridines, phenylpyrimidines, and phenylquinolines and devices made with such compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-11-07 US disclosed
US-7129518-B2 Electroluminescent iridium compounds with fluorinated phenylpryidines, phenylpyrimidines, and phenylquinolines and devices made with such compounds E.I. DU PONT DE NEMOURS AND COMPANY (US) 2006-10-31 US disclosed
US-20040094769-A1 Electroluminescent iridium compounds with fluorinated phenylpyridines, phenylprimidines, and phenylquinolines and devices made with such compounds LG CHEM, LTD. (KR) 2004-05-20 US disclosed
US-20040089867-A1 Electroluminescent iridium compounds with fluorinated phenylpryidines, phenylpyrimidines, and phenylquinolines and devices made with such compounds LG CHEM, LTD. (KR) 2004-05-13 US disclosed
US-20040075096-A1 Electroluminescent iridium compounds with fluorinated phenylpyridines, phenylpyrimidines, and phenylquinolines and devices made with such compounds LG CHEM, LTD. (KR) 2004-04-22 US disclosed
US-6670645-B2 Bright, efficient, stable; increased volatility for lower temperature vacuum deposition preventing decomposition E. I. DU PONT DE NEMOURS AND COMPANY 2003-12-30 US disclosed
US-20030197183-A1 Electroluminescent iridium compounds with fluorinated phenylpyridines, phenylpyrimidines, and phenylquinolines and devices made with such compounds GRUSHIN VLADIMIR (US) 2003-10-23 US disclosed
WO-2003063555-A1 ELECTROLUMINESCENT IRIDIUM COMPOUNDS WIHT FLUORINATED PHENYLPYRIDINES, PHENYLPYRIMIDINES, AND PHENYLQUINOLINES AND DEVICES MADE WITH SUCH COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2003-07-31 WO disclosed
EP-1295514-A2 ELECTROLUMINESCENT IRIDIUM COMPOUNDS WITH FLUORINATED PHENYLPYRIDINES, PHENYLPYRIMIDINES, AND PHENYLQUINOLINES AND DEVICES MADE WITH SUCH COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-03-26 EP disclosed
US-20020190250-A1 Electroluminescent iridium compounds with fluorinated phenylpyridines, phenylpyrimidines, and phenylquinolines and devices made with such compounds LG CHEM, LTD. (KR) 2002-12-19 US disclosed
US-20020121638-A1 Electroluminescent iridium compounds with fluorinated phenylpyridines, phenylpyrimidines, and phenylquinolines and devices made with such compounds E. I. DU PONT DE NEMOURS AND COMPANY 2002-09-05 US disclosed
WO-2002002714-A2 ELECTROLUMINESCENT IRIDIUM COMPOUNDS WITH FLUORINATED PHENYLPYRIDINES, PHENYLPYRIMIDINES, AND PHENYLQUINOLINES AND DEVICES MADE WITH SUCH COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-01-10 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 (1 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-20090206326-A1 ELECTROLUMINESCENT IRIDIUM COMPOUNDS WITH FLUORINATED PHENYLPRYIDINES, PHENYLPYRIMIDINES, AND PHENYLQUINOLINES AND DEVICES MADE WITH SUCH COMPOUNDS QDPR, DPYD, KCNQ5 KDM4E 1379/4885SMN1; SMN2 4312/4885HPGD 1896/4885

“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.