SCHEMBL2517455

SCHEMBL2517455

[Ir].c1ccc(-c2cc3ccccc3s2)nc1.c1ccc(-c2cc3ccccc3s2)nc1.c1ccc(-c2cc3ccccc3s2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.59
KDM4E B2RXH2 8/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MAPT P10636 2/20 0.57
GLA P06280 1/20 0.57
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM1A O60341 1/20 0.50
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
APP P05067 2/20 0.46
IKBKB O14920 2/20 0.45
CCR1 P32246 3/20 0.45
CCR5 P51681 3/20 0.45
CCR8 P51685 3/20 0.45
LMNA P02545 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
SCHEMBL27657937 1.00 CYP19A1 (0.59) CYP19A1KDM4ENPC1RAB9AMAPT
SCHEMBL6230863 1.00 CYP19A1 (0.59) CYP19A1KDM4ENPC1RAB9AMAPT
SCHEMBL30109437 1.00 CYP19A1 (0.59) CYP19A1KDM4ENPC1RAB9AMAPT
SCHEMBL403651 0.98 CYP19A1 (0.60) CYP19A1KDM4ENPC1RAB9AMAPT
SCHEMBL29415478 0.98 CYP19A1 (0.60) CYP19A1KDM4ENPC1RAB9AMAPT
SCHEMBL30103498 0.96 CYP19A1 (0.59) CYP19A1KDM4ENPC1RAB9AMAPT
SCHEMBL29675208 0.96 CYP19A1 (0.59) CYP19A1KDM4ENPC1RAB9AMAPT
SCHEMBL31103353 0.92 CYP19A1 (0.55) CYP19A1KDM4ENPC1RAB9AMAPT
Pyridine SCHEMBL29277407 0.92 CYP19A1 (0.55) CYP19A1KDM4ENPC1RAB9AMAPT
SCHEMBL6419090 0.86 IKBKB (0.47) CYP19A1KDM4ENPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1944308-B1 PROCESS FOR PRODUCTION OF ORTHO-METALLIZED 1:3 COMPLEX OF IRIDIUM WITH HOMOLIGAND NIPPON STEEL & SUMIKIN CHEM CO (JP) 2013-10-02 EP disclosed
US-8034934-B2 reacting iridium acetylacetonate with an organic ligands such as 2-phenylpyridine in the presence of acids, to form tris(2-phenylpyridine) iridium complex, used as a luminous material for an organic electroluminescent device, in high yield at high purity NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-10-11 US disclosed
EP-1191612-B1 Luminescence device and display apparatus CANON KK (JP) 2009-09-09 EP disclosed
US-20080255361-A1 Process for Producing Ortho-Metalated Complex of Iridium With Homoligand NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2008-10-16 US disclosed
EP-1944308-A1 PROCESS FOR PRODUCTION OF ORTHO-METALLIZED 1:3 COMPLEX OF IRIDIUM WITH HOMOLIGAND Nippon Steel Chemical Co., Ltd. (JP) 2008-07-16 EP disclosed
US-7220495-B2 Luminescence device, display apparatus and metal coordination compound CANON KABUSHIKI KAISHA (JP) 2007-05-22 US disclosed
US-20050025996-A1 Luminescence device, display apparatus and metal coordination compound CANON KABUSHIKI KAISHA (JP) 2005-02-03 US disclosed
US-6821646-B2 CAPABLE OF PROVIDING A HIGH-EFFICIENCY LUMINESCENT STATE AT A HIGH BRIGHTNESS (OR LUMINANCE) FOR A LONG PERIOD WHILE MINIMIZING THE DETERIORATION IN LUMINESCENCE IN ENERGIZED STATE CANON KABUSHIKI KAISHA (JP) 2004-11-23 US disclosed
US-20020063516-A1 Limuninescence device, display apparatus and metal coordination compound CANON KABUSHIKI KAISHA (JP) 2002-05-30 US disclosed
EP-1191612-A2 Luminescence device, display apparatus and metal coordination compound CANON KABUSHIKI KAISHA (JP) 2002-03-27 EP 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-20080255361-A1 Process for Producing Ortho-Metalated Complex of Iridium With Homoligand HPD, TALDO1, PGD CYP19A1 4223/4885KDM4E 3836/4885NPC1 4207/4885

“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.