SCHEMBL503494

SCHEMBL503494

CN(C)c1ccnc(-c2ccc(F)cc2F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.47
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALPL P05186 2/20 0.38
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TGFBR1 P36897 2/20 0.36
FAAH O00519 1/20 0.36
SNCA P37840 1/20 0.35
F2RL3 Q96RI0 1/20 0.35
CHRM5 P08912 1/20 0.35
CHKA P35790 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL29445848 0.82 KMO (0.54) KMOALPLMEN1NPC1RAB9A
SCHEMBL19072696 0.82 KMO (0.54) KMOALPLMEN1NPC1RAB9A
SCHEMBL31235723 0.81 KMO (0.43) KMOALPLNPC1RAB9ATGFBR1
SCHEMBL18678740 0.80 KMO (0.42) KMOALDH1A1ALPLMEN1NPC1
SCHEMBL12828421 0.80 GRIN2B (0.37) KDM4EALDH1A1SNCACHRM5CHKA
SCHEMBL29766750 0.79 CCR1 (0.55) KMOALDH1A1ALPLMEN1KMT2A
SCHEMBL503953 0.79 CCR1 (0.55) KMOALDH1A1ALPLMEN1KMT2A
SCHEMBL16910413 0.79 CCR1 (0.55) KMOALDH1A1ALPLMEN1KMT2A
SCHEMBL4134231 0.79 DHODH (0.43) KMOALDH1A1ALPLMEN1NPC1
SCHEMBL196641 0.78 ALDH1A1 (0.53) KDM4EALDH1A1MEN1NPC1RAB9A

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 98 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-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
CN-106478733-B A kind of ionic type iridium metal complex electroluminescent material and its application 中南大学 2019-05-17 CN 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
EP-2062908-B1 Transition metal complexes comprising pyrazolylcarbazole ligands UNIV SOUTHERN CALIFORNIA (US) 2016-07-13 EP disclosed
US-9000157-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-07 US disclosed
US-9000157-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-07 US disclosed
US-7378161-B2 Organometallic complexes and organic electroluminescence device using the same SAMSUNG SDI CO., LTD. (KR) 2008-05-27 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
WO-2007115972-A1 LIGHT-EMITTING MATERIAL Solvay (Société Anonyme) (BE) 2007-10-18 WO disclosed
EP-1842854-A1 Light-emitting material SOLVAY (Société Anonyme) (BE) 2007-10-10 EP disclosed
US-20070184303-A1 Cyclometalated transition metal complex and organic light emitting device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2007-08-09 US disclosed
US-20070184303-A1 Cyclometalated transition metal complex and organic light emitting device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2007-08-09 US disclosed
US-20070184303-A1 Cyclometalated transition metal complex and organic light emitting device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2007-08-09 US disclosed
WO-2007042474-A2 LIGHT-EMITTING MATERIAL Solvay (Société Anonyme) (BE) 2007-04-19 WO disclosed
WO-2007042474-A2 LIGHT-EMITTING MATERIAL Solvay (Société Anonyme) (BE) 2007-04-19 WO 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

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-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 KMO 3161/4885KDM4E 3690/4885ALDH1A1 2031/4885
US-20200388773-A1 Phenyl and Fluorenyl Substituted Phenyl-Pyrazole Complexesof Ir EML4, RCOR3, CPNE4 KMO 3106/4885KDM4E 1373/4885ALDH1A1 630/4885
US-20180019413-A1 Phenyl and Fluorenyl Substituted Phenyl-Pyrazole Complexes of Ir EML4, AFF4, RCOR3 KMO 3083/4885KDM4E 1221/4885ALDH1A1 664/4885
US-10741775-B2 Phenyl and fluorenyl substituted phenyl-pyrazole complexes of Ir EML4, AFF4, RCOR3 KMO 3083/4885KDM4E 1221/4885ALDH1A1 664/4885

“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.