SCHEMBL514704

SCHEMBL514704

[Ir].c1ccc(-n2cccn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.63
ALDH1A1 P00352 4/20 0.57
MAPK1 P28482 3/20 0.57
KDM4E B2RXH2 3/20 0.57
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
HDAC4 P56524 1/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA10 Q9GZZ6 1/20 0.44
CHRNA9 Q9UGM1 1/20 0.44
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
G6PD P11413 1/20 0.43
CHRM1 P11229 1/20 0.43
KAT6A Q92794 1/20 0.42

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
SCHEMBL842039 1.00 NOTUM (0.63) NOTUMALDH1A1MAPK1KDM4EDRD2
SCHEMBL27250 0.98 NOTUM (0.65) NOTUMALDH1A1MAPK1KDM4EDRD2
SCHEMBL28493417 0.95 NOTUM (0.63) NOTUMALDH1A1MAPK1KDM4EDRD2
Iodide SCHEMBL336356 0.95 NOTUM (0.63) NOTUMALDH1A1MAPK1KDM4EDRD2
SCHEMBL6428811 0.95 NOTUM (0.63) NOTUMALDH1A1MAPK1KDM4EDRD2
Hydrochloric Acid SCHEMBL15510676 0.95 NOTUM (0.63) NOTUMALDH1A1MAPK1KDM4EDRD2
Methylamine SCHEMBL27947262 0.91 NOTUM (0.59) NOTUMALDH1A1MAPK1KDM4EDRD2
Formaldehyde SCHEMBL27652263 0.91 NOTUM (0.59) NOTUMALDH1A1MAPK1KDM4EDRD2
Bicarbonate SCHEMBL10672835 0.89 NOTUM (0.57) NOTUMALDH1A1MAPK1KDM4EDRD2
Pyridine SCHEMBL28534733 0.89 NOTUM (0.57) NOTUMALDH1A1MAPK1KDM4EDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111116667-B Iridium complex constructed based on 8-hydroxyquinoline derivative and 1-phenylpyrazole iridium dimer as well as synthetic method and application thereof 广西师范大学 2021-05-04 CN disclosed
CN-111116667-B Iridium complex constructed based on 8-hydroxyquinoline derivative and 1-phenylpyrazole iridium dimer as well as synthetic method and application thereof 广西师范大学 2021-05-04 CN 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
CN-111116667-A Iridium complex constructed based on 8-hydroxyquinoline derivative and 1-phenylpyrazole iridium dimer as well as synthetic method and application thereof 广西师范大学 2020-05-08 CN disclosed
CN-111116667-A Iridium complex constructed based on 8-hydroxyquinoline derivative and 1-phenylpyrazole iridium dimer as well as synthetic method and application thereof 广西师范大学 2020-05-08 CN 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-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
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
CN-100387607-C Phenyl-pyrazole complexes of Ir UNIV SOUTHERN CALIFORNIA (US) 2008-05-14 CN 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
CN-1788012-A Phenyl-pyrazole complexes of Ir UNIV SOUTHERN CALIFORNIA (US) 2006-06-14 CN disclosed
US-20060024526-A1 tris(phenylpyrazole) iridium complex; stability THOMPSON MARK E 2006-02-02 US disclosed
EP-1606296-A2 PHENYL-PYRAZOLE COMPLEXES OF Ir UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2005-12-21 EP disclosed
US-6951694-B2 Organic light emitting devices with electron blocking layers THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2005-10-04 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
US-20040048101-A1 Organic light emitting devices with electron blocking layers UNIVERSITY OF SOUTHERN CALIFORNIA, THE 2004-03-11 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 (5 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 NOTUM 3367/4885ALDH1A1 2031/4885MAPK1 3037/4885
US-20200388773-A1 Phenyl and Fluorenyl Substituted Phenyl-Pyrazole Complexesof Ir EML4, RCOR3, CPNE4 NOTUM 4244/4885ALDH1A1 630/4885MAPK1 3632/4885
US-20180019413-A1 Phenyl and Fluorenyl Substituted Phenyl-Pyrazole Complexes of Ir EML4, AFF4, RCOR3 NOTUM 4245/4885ALDH1A1 664/4885MAPK1 3319/4885
US-20080176102-A1 Organic light emitting devices; electroluminescent efficiency, durability; such as tris(1-(4-biphenyl)pyrazolato)iridium complexes EML4, RNF4, LIG4 NOTUM 3476/4885ALDH1A1 413/4885MAPK1 3568/4885
US-10741775-B2 Phenyl and fluorenyl substituted phenyl-pyrazole complexes of Ir EML4, AFF4, RCOR3 NOTUM 4245/4885ALDH1A1 664/4885MAPK1 3319/4885

“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.