SCHEMBL2605804

SCHEMBL2605804

Nc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.63
ESR2 Q92731 2/20 0.63
ALDH1A1 P00352 6/20 0.62
KDM4E B2RXH2 3/20 0.62
RAB9A P51151 2/20 0.62
NPC1 O15118 1/20 0.62
TP53 P04637 1/20 0.62
GAA P10253 1/20 0.62
PKM P14618 1/20 0.62
ALOX15 P16050 1/20 0.62
HSD17B10 Q99714 1/20 0.62
HPGD P15428 2/20 0.57
PRKACA P17612 1/20 0.57
RPS6KB1 P23443 1/20 0.57
GSK3B P49841 1/20 0.57
ROCK1 Q13464 1/20 0.57
GRIA1 P42261 1/20 0.57
CACNG8 Q8WXS5 1/20 0.57
CACNG2 Q9Y698 1/20 0.57
MAPK1 P28482 2/20 0.56

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
SCHEMBL11955410 0.98 ESR1 (0.61) ESR1ESR2ALDH1A1KDM4ERAB9A
SCHEMBL17226245 0.94 ESR2 (0.72) ESR1ESR2ALDH1A1KDM4ERAB9A
SCHEMBL804992 0.92 ESR2 (0.73) ESR1ESR2ALDH1A1KDM4ERAB9A
SCHEMBL10041513 0.90 ESR2 (0.71) ESR1ESR2ALDH1A1KDM4ERAB9A
SCHEMBL16692234 0.90 ESR2 (0.71) ESR1ESR2ALDH1A1KDM4ERAB9A
SCHEMBL2602411 0.89 ALDH1A1 (0.61) ESR1ESR2ALDH1A1KDM4ERAB9A
SCHEMBL17943175 0.89 ESR1 (0.55) ESR1ESR2ALDH1A1KDM4ERAB9A
SCHEMBL17943183 0.89 ESR1 (0.55) ESR1ESR2ALDH1A1KDM4ERAB9A
SCHEMBL22522571 0.89 ESR1 (0.65) ESR1ESR2ALDH1A1KDM4ERAB9A
SCHEMBL14160911 0.88 ESR1 (0.73) ESR1ESR2ALDH1A1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240315129-A1 Diarylamine Compound and Use Thereof, Light Extraction Material, Electroluminescent Device, and Display Apparatus BOE TECHNOLOGY GROUP CO., LTD. (CN) 2024-09-19 US disclosed
CN-116783172-A Biaromatic amine compound, use thereof, light extraction material, electroluminescent device, and display device 京东方科技集团股份有限公司 2023-09-19 CN disclosed
US-11725003-B2 Amine derivative and an organic electroluminescent device thereof CHANGCHUN HYPERIONS TECHNOLOGY CO., LTD (CN) 2023-08-15 US disclosed
US-11725003-B2 Amine derivative and an organic electroluminescent device thereof CHANGCHUN HYPERIONS TECHNOLOGY CO., LTD (CN) 2023-08-15 US disclosed
WO-2023115394-A1 DIARYLAMINE COMPOUND AND USE THEREOF, LIGHT EXTRACTION MATERIAL, ELECTROLUMINESCENT DEVICE, AND DISPLAY DEVICE 京东方科技集团股份有限公司 2023-06-29 WO disclosed
CN-115872987-A Arylamine compound, electroluminescent device and display device 京东方科技集团股份有限公司 2023-03-31 CN disclosed
CN-111116505-B Amine compound and organic light-emitting device thereof 长春海谱润斯科技股份有限公司 2023-02-07 CN disclosed
US-20210130382-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2021-05-06 US disclosed
US-20210009574-A1 Amine derivative and an organic electroluminescent device thereof CHANGCHUN HYPERIONS TECHNOLOGY CO., LTD (CN) 2021-01-14 US disclosed
EP-3763707-A1 AMINE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT DEVICE THEREOF Changchun Hyperions Scientific Co., Ltd (CN) 2021-01-13 EP disclosed
WO-2020251180-A1 TERTIARY AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 랩토 2020-12-17 WO disclosed
EP-2315502-B1 Electroluminescent device UDC IRELAND LTD (IE) 2020-10-14 EP disclosed
EP-3561876-A1 DISPLAY Novaled GmbH (DE) 2019-10-30 EP disclosed
EP-2265092-B1 Electroluminescent device UDC IRELAND LTD (IE) 2018-03-14 EP disclosed
EP-1520450-B1 ELECTROLUMINESCENT DEVICE UDC IRELAND LTD (IE) 2017-08-02 EP disclosed
US-8362019-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyrazine compounds SPELMAN COLLEGE (US) 2013-01-29 US disclosed
US-20120095009-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2012-04-19 US disclosed
WO-2011115378-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-09-22 WO disclosed
WO-2008069586-A1 NEW FLUORENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2008-06-12 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 (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-20210130382-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME DDT, ORC3, PPOX ESR1 561/4885ESR2 1843/4885ALDH1A1 195/4885
US-20120095009-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, CCNI, TYMP ESR1 3859/4885ESR2 3901/4885ALDH1A1 1026/4885
US-20240315129-A1 Diarylamine Compound and Use Thereof, Light Extraction Material, Electroluminescent Device, and Display Apparatus DDT, CRY1, TMED7 ESR1 1051/4885ESR2 2104/4885ALDH1A1 170/4885
US-20210009574-A1 Amine derivative and an organic electroluminescent device thereof AOC1, AOX1, AOC2 ESR1 371/4885ESR2 1059/4885ALDH1A1 22/4885
US-11725003-B2 Amine derivative and an organic electroluminescent device thereof AOC1, AOX1, AOC2 ESR1 371/4885ESR2 1059/4885ALDH1A1 22/4885

“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.