SCHEMBL2529253

SCHEMBL2529253

[c]1cccc(Nc2cccnc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
RAD52 P43351 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
CLK1 P49759 1/20 0.40
TDP2 O95551 1/20 0.40
NSD2 O96028 1/20 0.40
KDR P35968 1/20 0.40
PKM P14618 1/20 0.40
CFTR P13569 1/20 0.40

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
SCHEMBL1368828 0.82 KIF11 (0.60) KIF11ADRA2AADRA2BADRA2CRAD52
SCHEMBL7090460 0.82 HSD17B10 (0.43) KMT2AKDM4EL3MBTL1GAAMAPK1
SCHEMBL29793056 0.82 KIF11 (0.60) KIF11ADRA2AADRA2BADRA2CRAD52
SCHEMBL150876 0.81 KIF11 (0.49) KIF11ADRA2AADRA2BADRA2CRAD52
SCHEMBL2526849 0.81 RAD52 (0.45) ADRA2AADRA2BADRA2CRAD52KMT2A
SCHEMBL2527453 0.77 AURKA (0.39) NPC1RAB9AMAPK1ALDH1A1MAPT
SCHEMBL226139 0.76 HSD17B10 (0.57) KMT2ARAB9AKDM4EL3MBTL1GAA
SCHEMBL4591751 0.76 KMT2A (0.61) KIF11ADRA2AADRA2BADRA2CRAD52
Ethane SCHEMBL18228141 0.76 ADRA2A (0.55) KIF11ADRA2AADRA2BADRA2CRAD52
SCHEMBL29845262 0.76 KMT2A (0.61) KIF11ADRA2AADRA2BADRA2CRAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344142-B2 perylenetetracarboxylic diimide core having side chains (groups or mesogens) attached to the core; to provide charge-transport materials having various volatilities, solubilities, crystallinity, and charge transport ability; organic light emitting diode; photovoltaic cells, light-emitting diodes GEORGIA TECH RESEARCH CORPORATION (US) 2013-01-01 US claimed
US-8039625-B2 Coronene charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2011-10-18 US claimed
US-20090044863-A1 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF NATIONAL SCIENCE FOUNDATION 2009-02-19 US claimed
US-20080223444-A1 Perylene Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof GEORGIA TECH RESEARCH CORPORATION 2008-09-18 US claimed
WO-2006093965-A2 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2006-09-08 WO claimed
CN-101035788-B Process for the preparation of halogenated rylen-carboximides by halogenation of rylene-carboximides with elemental halogen in a two-phase mixture comprising an organic solvent and water BASF AG 2013-01-23 CN disclosed
US-8344142-B2 perylenetetracarboxylic diimide core having side chains (groups or mesogens) attached to the core; to provide charge-transport materials having various volatilities, solubilities, crystallinity, and charge transport ability; organic light emitting diode; photovoltaic cells, light-emitting diodes GEORGIA TECH RESEARCH CORPORATION (US) 2013-01-01 US disclosed
US-8039625-B2 Coronene charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2011-10-18 US disclosed
US-20090044863-A1 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF NATIONAL SCIENCE FOUNDATION 2009-02-19 US disclosed
US-20080223444-A1 Perylene Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof GEORGIA TECH RESEARCH CORPORATION 2008-09-18 US disclosed
CN-101035788-A Halogenation of rylen-carboximides with elemental halogen in a two-phase mixture comprising an organic solvent and water, wherein the hydrogen halide formed is continuously removed from the organic solvent BASF AG (DE) 2007-09-12 CN disclosed
WO-2006093965-A2 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2006-09-08 WO disclosed
WO-2005124453-A2 PERYLENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2005-12-29 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 (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-20080223444-A1 Perylene Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof SLC43A1, SLC3A2, SLC16A3 KIF11 2070/4885ADRA2A 4432/4885ADRA2B 4439/4885
US-20090044863-A1 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF SLC18A3, CORO1C, SLC18A1 KIF11 816/4885ADRA2A 2994/4885ADRA2B 3590/4885

“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.