SCHEMBL2117777

SCHEMBL2117777

Clc1ccc(-c2ccnnn2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
PIK3CA P42336 2/20 0.45
PIK3CB P42338 2/20 0.45
PIK3CG P48736 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HSP90AA1 P07900 2/20 0.45
HSP90AB1 P08238 2/20 0.45
HSD11B1 P28845 2/20 0.44
LMNA P02545 1/20 0.42
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AHR P35869 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL6068608 0.82 CYP3A4 (0.41) MAPTSMN1; SMN2HSP90AA1HSP90AB1LMNA
SCHEMBL28301379 0.77 IDO1 (0.44) SMN1; SMN2HSP90AA1HSP90AB1HSD11B1LMNA
SCHEMBL29197341 0.76 CYP1A2 (0.40) MAPTSMN1; SMN2MEN1KMT2AHSD11B1
SCHEMBL10840446 0.73 HSP90AA1 (0.51) MAPTSMN1; SMN2PIK3CAPIK3CBPIK3CG
SCHEMBL27821008 0.72 MAPT (0.42) MAPTSMN1; SMN2PIK3CAPIK3CBPIK3CG
SCHEMBL4446563 0.71 ALPL (0.30) ALPL
SCHEMBL443407 0.70 MAPT (0.60) MAPTSMN1; SMN2PIK3CAPIK3CBPIK3CG
SCHEMBL9979200 0.70 CNR2 (0.46) MAPK1
SCHEMBL3232479 0.70 MAPT (0.49) MAPTSMN1; SMN2PIK3CAPIK3CBPIK3CG
SCHEMBL29624840 0.70 AHR (0.64) MAPTHSP90AA1HSP90AB1HSD11B1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109942551-B Organic molecules, in particular their use in optoelectronic devices 三星显示有限公司 2022-12-30 CN disclosed
CN-112341447-B Electron transport material, organic electroluminescent device and display device 烟台京师材料基因组工程研究院 2022-12-06 CN disclosed
CN-112341447-A Electron transport material, organic electroluminescent device and display device 烟台京师材料基因组工程研究院 2021-02-09 CN disclosed
CN-111808082-A Luminescent material and application thereof 北京鼎材科技有限公司 2020-10-23 CN disclosed
US-10312453-B2 Organic electroluminescent device and method for manufacture thereof BEIJING VISIONOX TECHNOLOGY CO., LTD. (CN) 2019-06-04 US disclosed
EP-3070757-B1 ORGANIC ELECTROLUMINESCENT DEVICE AND METHOD FOR MANUFACTURE THEREOF BEIJING VISIONOX TECHNOLOGY CO (CN) 2019-05-08 EP disclosed
EP-3226318-B1 THERMALLY-ACTIVATED SENSITIZED PHOSPHORESCENT ORGANIC ELECTROLUMINESCENT DEVICE BEIJING VISIONOX TECHNOLOGY CO (CN) 2019-04-17 EP disclosed
US-20180013073-A1 THERMALLY-ACTIVATED SENSITIZED PHOSPHORESCENT ORGANIC ELECTROLUMINESCENT DEVICE BEIJING VISIONOX TECHNOLOGY CO., LTD. (CN) 2018-01-11 US disclosed
EP-3226318-A1 THERMALLY-ACTIVATED SENSITIZED PHOSPHORESCENT ORGANIC ELECTROLUMINESCENT DEVICE Beijing Visionox Technology Co., Ltd. (CN) 2017-10-04 EP disclosed
US-20160322582-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND METHOD FOR MANUFACTURE THEREOF BEIJING VISIONOX TECHNOLOGY CO., LTD. (CN) 2016-11-03 US disclosed
EP-3070757-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND METHOD FOR MANUFACTURE THEREOF Beijing Visionox Technology Co., Ltd. (CN) 2016-09-21 EP disclosed
EP-2447335-B1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL IND INC (KR) 2015-11-11 EP disclosed
EP-2447335-A2 COMPOUND FOR AN ORGANIC PHOTOELECTRIC ELEMENT, AND AN ORGANIC PHOTOELECTRIC ELEMENT COMPRISING THE SAME Cheil Industries Inc. (KR) 2012-05-02 EP disclosed
US-20120091445-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-04-19 US disclosed
US-4412959-A POLYREACTION INVOLVING A PYRIMIDINE, PYRIDAZINE OR TRIAZINE COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1983-11-01 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 (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-20120091445-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE OR51E2, AOX1, OR10J3 MAPT 1144/4885SMN1; SMN2 4366/4885PIK3CA 3932/4885

“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.