SCHEMBL514839

SCHEMBL514839

c1ccc(-c2cccc(-n3cccn3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.57
ERCC4 Q92889 1/20 0.57
FFAR4 Q5NUL3 1/20 0.53
LMNA P02545 1/20 0.52
NOTUM Q6P988 1/20 0.47
MAPK1 P28482 3/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
METAP2 P50579 1/20 0.46
KAT6A Q92794 1/20 0.46
TBK1 Q9UHD2 2/20 0.45
ALDH1A1 P00352 3/20 0.45
FAAH O00519 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PKM P14618 1/20 0.44
ATM Q13315 1/20 0.44
MGLL Q99685 1/20 0.44
IKBKE Q14164 1/20 0.44

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
SCHEMBL20930858 0.91 ERCC1 (0.58) ERCC1ERCC4FFAR4LMNANOTUM
SCHEMBL15021326 0.86 ERCC1 (0.52) ERCC1ERCC4FFAR4LMNANOTUM
Benzene SCHEMBL28260772 0.86 ERCC1 (0.51) ERCC1ERCC4FFAR4LMNANOTUM
SCHEMBL27373948 0.84 ERCC1 (0.53) ERCC1ERCC4FFAR4LMNANOTUM
SCHEMBL5934873 0.84 NOTUM (0.57) ERCC1ERCC4FFAR4LMNANOTUM
SCHEMBL15021544 0.84 ERCC1 (0.52) ERCC1ERCC4FFAR4LMNANOTUM
SCHEMBL13734402 0.83 ERCC1 (0.52) ERCC1ERCC4FFAR4LMNANOTUM
SCHEMBL514359 0.82 NOTUM (0.62) FFAR4NOTUMMAPK1HTTMAPT
SCHEMBL21031161 0.82 FFAR4 (0.44) ERCC1ERCC4FFAR4LMNAMAPK1
Hydrochloric Acid SCHEMBL6006151 0.82 NOTUM (0.55) ERCC1ERCC4FFAR4LMNANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200388773-A1 Phenyl and Fluorenyl Substituted Phenyl-Pyrazole Complexesof Ir UNIV SOUTHERN CALIFORNIA (US) 2020-12-10 US disclosed
US-20200388773-A1 Phenyl and Fluorenyl Substituted Phenyl-Pyrazole Complexesof Ir UNIV SOUTHERN CALIFORNIA (US) 2020-12-10 US disclosed
US-10741775-B2 Phenyl and fluorenyl substituted phenyl-pyrazole complexes of Ir THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2020-08-11 US disclosed
US-10741775-B2 Phenyl and fluorenyl substituted phenyl-pyrazole complexes of Ir THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2020-08-11 US disclosed
EP-3109238-B1 PHENYL-PYRAZOLE COMPLEXES OF IRIDIUM UNIV SOUTHERN CALIFORNIA (US) 2019-09-18 EP disclosed
US-20180019413-A1 Phenyl and Fluorenyl Substituted Phenyl-Pyrazole Complexes of Ir UNIV SOUTHERN CALIFORNIA (US) 2018-01-18 US disclosed
US-20180019413-A1 Phenyl and Fluorenyl Substituted Phenyl-Pyrazole Complexes of Ir UNIV SOUTHERN CALIFORNIA (US) 2018-01-18 US disclosed
US-9583720-B2 Phenyl and fluorenyl substituted phenyl-pyrazole complexes of Ir THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-02-28 US disclosed
US-9583720-B2 Phenyl and fluorenyl substituted phenyl-pyrazole complexes of Ir THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-02-28 US disclosed
EP-3109238-A1 PHENYL-PYRAZOLE COMPLEXES OF IRIDIUM University of Southern California (US) 2016-12-28 EP disclosed
EP-2062908-A1 Complexes of iridium comprising pyrazolylcarbazole ligands University of Southern California (US) 2009-05-27 EP disclosed
US-20080176102-A1 Organic light emitting devices; electroluminescent efficiency, durability; such as tris(1-(4-biphenyl)pyrazolato)iridium complexes THOMPSON MARK E 2008-07-24 US disclosed
US-7338722-B2 Iridium; phosphorescent, electroluminescent efficiencies in organic light emitting device; longer lifetimes, stability, efficiency in red, green and blue; one ligand has triplet energy corresponding to a wavelength 80 nm greater than wavelength corresponding to triplet energy of the other ligands; THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2008-03-04 US disclosed
US-7332233-B2 Iridium compound and organic electroluminescent device using the same SAMSUNG SDI CO., LTD. (KR) 2008-02-19 US disclosed
US-7332233-B2 Iridium compound and organic electroluminescent device using the same SAMSUNG SDI CO., LTD. (KR) 2008-02-19 US disclosed
US-7332233-B2 Iridium compound and organic electroluminescent device using the same SAMSUNG SDI CO., LTD. (KR) 2008-02-19 US disclosed
EP-1606296-A2 PHENYL-PYRAZOLE COMPLEXES OF Ir UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2005-12-21 EP disclosed
US-20050031903-A1 Iridium compound and organic electroluminescent device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2005-02-10 US disclosed
US-20040253478-A1 Iridium; phosphorescent, electroluminescent efficiencies in organic light emitting device; longer lifetimes, stability, efficiency in red, green and blue; one ligand has triplet energy corresponding to a wavelength 80 nm greater than wavelength corresponding to triplet energy of the other ligands; UNIVERSITY OF SOUTHERN CALIFORNIA, THE 2004-12-16 US disclosed
WO-2004085450-A2 PHENYL-PYRAZOLE COMPLEXES OF IR THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2004-10-07 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 (6 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-20040253478-A1 Iridium; phosphorescent, electroluminescent efficiencies in organic light emitting device; longer lifetimes, stability, efficiency in red, green and blue; one ligand has triplet energy corresponding to a wavelength 80 nm greater than wavelength corresponding to triplet energy of the other ligands; NR2E3, IK, NR2C2 ERCC1 1124/4885ERCC4 2126/4885FFAR4 2502/4885
US-20200388773-A1 Phenyl and Fluorenyl Substituted Phenyl-Pyrazole Complexesof Ir EML4, RCOR3, CPNE4 ERCC1 461/4885ERCC4 173/4885FFAR4 1632/4885
US-20050031903-A1 Iridium compound and organic electroluminescent device using the same IK, ALPL, PPIP5K2 ERCC1 241/4885ERCC4 628/4885FFAR4 4347/4885
US-20180019413-A1 Phenyl and Fluorenyl Substituted Phenyl-Pyrazole Complexes of Ir EML4, AFF4, RCOR3 ERCC1 344/4885ERCC4 607/4885FFAR4 1057/4885
US-20080176102-A1 Organic light emitting devices; electroluminescent efficiency, durability; such as tris(1-(4-biphenyl)pyrazolato)iridium complexes EML4, RNF4, LIG4 ERCC1 111/4885ERCC4 290/4885FFAR4 1231/4885
US-10741775-B2 Phenyl and fluorenyl substituted phenyl-pyrazole complexes of Ir EML4, AFF4, RCOR3 ERCC1 344/4885ERCC4 607/4885FFAR4 1057/4885

“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.