SCHEMBL16586809

SCHEMBL16586809

[Ir].c1ccc2c(c1)ncn1c3ccccc3nc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.63
HPGD P15428 7/20 0.63
HSD17B10 Q99714 4/20 0.63
ALDH1A1 P00352 7/20 0.49
LMNA P02545 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TP53 P04637 2/20 0.49
NPC1 O15118 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MAPT P10636 4/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 2/20 0.44
RAB9A P51151 1/20 0.44
TOP2A P11388 1/20 0.43
TSHR P16473 2/20 0.42
ALOX15 P16050 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
SCHEMBL9984386 0.98 KDM4E (0.65) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL1687647 0.84 HSD17B10 (0.49) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL14815362 0.82 KDM4E (0.55) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL17075223 0.82 KDM4E (0.48) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL14815485 0.82 HSD17B10 (0.48) KDM4EHPGDHSD17B10LMNASMN1; SMN2
SCHEMBL20091291 0.81 KDM4E (0.47) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL14760387 0.80 KDM4E (0.45) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL12145679 0.79 KDM4E (0.55) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL14815430 0.78 KDM4E (0.46) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL1687637 0.78 KDM4E (0.43) KDM4EHPGDHSD17B10ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160233444-A1 POLYCYCLIC PHENYLPYRIDINE IRIDIUM COMPLEXES AND DERIVATIVES THEREOF FOR OLEDS MERCK PATENT GMBH (DE) 2016-08-11 US disclosed
EP-3046927-A1 POLYCYCLIC PHENYLPYRIDINE IRIDIUM COMPLEXES AND DERIVATIVES THEREOF FOR OLEDS Merck Patent GmbH (DE) 2016-07-27 EP disclosed
WO-2015039723-A1 POLYCYCLIC PHENYLPYRIDINE IRIDIUM COMPLEXES AND DERIVATIVES THEREOF FOR OLEDS MERCK PATENT GMBH (DE) 2015-03-26 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-20160233444-A1 POLYCYCLIC PHENYLPYRIDINE IRIDIUM COMPLEXES AND DERIVATIVES THEREOF FOR OLEDS OCIAD1, OCIAD2, OPRM1 KDM4E 4066/4885HPGD 1123/4885HSD17B10 3097/4885

“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.