SCHEMBL1033552

SCHEMBL1033552

[c]1ccc(-c2ccccn2)c(-c2ccccn2)c1-c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
LMNA P02545 3/20 0.48
CCR1 P32246 3/20 0.48
CCR5 P51681 3/20 0.48
CCR8 P51685 3/20 0.48
CYP1A2 P05177 2/20 0.48
POLB P06746 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
TDO2 P48775 1/20 0.43
NPC1 O15118 6/20 0.42
TP53 P04637 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALOX15 P16050 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 2/20 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
SCHEMBL7265635 0.81 KDM4E (0.59) KDM4ELMNACCR1CCR5CCR8
SCHEMBL3363096 0.81 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL5796609 0.76 KDM4E (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7570520 0.76 TGFBR1 (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29011295 0.74 KDM4E (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL14783132 0.74 KDM4E (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL11965541 0.74 KDM4E (0.68) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7571214 0.73 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL21295964 0.73 TP53 (0.40) KDM4ELMNACCR1CCR5CCR8
SCHEMBL21295952 0.73 KDM4E (0.39) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331654-B1 ELECTRON-TRANSPORTING MATERIALS BOE TECHNOLOGY GROUP CO LTD (CN) 2017-12-06 EP disclosed
EP-2445881-B1 PROCESS FOR MAKING ORGANIC COMPOUNDS AND THE ORGANIC COMPOUNDS MADE THEREFROM BOE TECHNOLOGY GROUP CO LTD (CN) 2017-11-15 EP disclosed
EP-2275409-A1 Bipiridine derivative and organic electroluminescence element containing the same Yamagata Promotional Organization for Industrial Technology (JP) 2011-01-19 EP disclosed
US-20100327265-A1 BIPIRIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING THE SAME YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2010-12-30 US disclosed
US-20100308313-A1 Organic Material Containing Oligophenylene Skeleton and Light-Emitting Device Using the Same NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY 2010-12-09 US disclosed
EP-2236485-A1 ORGANIC MATERIAL CONTAINING OLIGOPHENYLENE SKELETON AND LIGHT-EMITTING DEVICE USING THE SAME National University Corporation Nagoya University (JP) 2010-10-06 EP disclosed
JP-2008120696-A NOVEL TRIPYRIDYLPHENYL DERIVATIVE, ELECTRON-TRANSPORTING MATERIAL COMPRISING THE SAME AND ORGANOELECTROLUMINESCENT ELEMENT COMPRISING THE SAME CHEMIPROKASEI KAISHA LTD 2008-05-29 JP 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 (2 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-20100327265-A1 BIPIRIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING THE SAME NFE2L2, SLC19A2, AOC2 KDM4E 3587/4885LMNA 3042/4885CCR1 1761/4885
US-20100308313-A1 Organic Material Containing Oligophenylene Skeleton and Light-Emitting Device Using the Same BMP2, SOST, BMP4 KDM4E 1943/4885LMNA 1117/4885CCR1 4546/4885

“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.