SCHEMBL150876

SCHEMBL150876

[c]1ccc(Nc2cccnc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
RAD52 P43351 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP17A1 P05093 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.43
PKM P14618 1/20 0.42
CFTR P13569 1/20 0.42
GOPC Q9HD26 1/20 0.42
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
CLK1 P49759 1/20 0.41
TDP2 O95551 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
SCHEMBL29793056 0.85 KIF11 (0.60) KIF11ADRA2AADRA2BADRA2CRAD52
SCHEMBL1368828 0.85 KIF11 (0.60) KIF11ADRA2AADRA2BADRA2CRAD52
SCHEMBL29845262 0.83 KMT2A (0.61) KIF11ADRA2AADRA2BADRA2CRAD52
SCHEMBL4591751 0.83 KMT2A (0.61) KIF11ADRA2AADRA2BADRA2CRAD52
SCHEMBL20194707 0.81 KIF11 (0.53) KIF11ADRA2AADRA2BADRA2CRAD52
SCHEMBL2529253 0.81 KIF11 (0.46) KIF11ADRA2AADRA2BADRA2CRAD52
Ethane SCHEMBL18228141 0.79 ADRA2A (0.55) KIF11ADRA2AADRA2BADRA2CRAD52
SCHEMBL15898283 0.77 KIF11 (0.53) KIF11ADRA2AADRA2BADRA2CRAD52
SCHEMBL14324708 0.77 RAB9A (0.67) KMT2ANPC1RAB9AKDM4EL3MBTL1
SCHEMBL147419 0.76 RAD52 (0.54) ADRA2AADRA2BADRA2CRAD52KMT2A

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 273 patents — showing the first 20. 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
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 claimed
CN-113330096-B Use of substituted or unsubstituted polycyclic aromatic compounds for high resolution microscopy 马克斯·普朗克索赔科学公司 2024-05-31 CN disclosed
US-11958796-B2 Hydrophilic and particularly water soluble DBOV-derivatives MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2024-04-16 US disclosed
CN-112839922-B Hydrophilic and in particular water-soluble DBOV derivatives 马克斯·普朗克索赔科学公司 2024-04-02 CN disclosed
EP-3830217-B1 USE OF A SUBSTITUTED OR UNSUBSTITUTED POLYCYCLIC AROMATIC HYDROCARBON COMPOUND FOR HIGH-RESOLUTION MICROSCOPY MAX PLANCK GESELLSCHAFT (DE) 2022-07-20 EP disclosed
US-20220009870-A1 HYDROPHILIC AND PARTICULARLY WATER SOLUBLE DBOV-DERIVATIVES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2022-01-13 US disclosed
US-20210388260-A1 USE OF A SUBSTITUTED OR UNSUBSTITUTED POLYCYCLIC AROMATIC HYDROCARBON COMPOUND FOR HIGH-RESOLUTION MICROSCOPY Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V (DE) 2021-12-16 US disclosed
CN-113330096-A Use of substituted or unsubstituted polycyclic aromatic hydrocarbon compounds for high resolution microscopy 马克斯·普朗克索赔科学公司 2021-08-31 CN disclosed
CN-1169155-A Substituted transannular tetracarboxylic acid diimide BASF AG (DE) 1997-12-31 CN disclosed
CN-1168151-A Process for producing and purifying perylene-3,4-dicarboxylic acid imides BASF AG (DE) 1997-12-17 CN disclosed
EP-0804508-A1 PROCESS FOR PRODUCING AND PURIFYING PERYLENE-3,4-DICARBOXYLIC ACID IMIDES BASF AKTIENGESELLSCHAFT (DE) 1997-11-05 EP disclosed
EP-0804507-A1 SUBSTITUTED QUATERRYLENE TETRACARBOXYLIC ACID DIIMIDES BASF AKTIENGESELLSCHAFT (DE) 1997-11-05 EP disclosed
WO-1996040705-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR (US) 1996-12-19 WO disclosed
WO-1996022332-A1 SUBSTITUTED QUATERRYLENE TETRACARBOXYLIC ACID DIIMIDES BASF AKTIENGESELLSCHAFT (DE) 1996-07-25 WO disclosed
WO-1996022331-A1 PROCESS FOR PRODUCING AND PURIFYING PERYLENE-3,4-DICARBOXYLIC ACID IMIDES BASF AKTIENGESELLSCHAFT (DE) 1996-07-25 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-20220009870-A1 HYDROPHILIC AND PARTICULARLY WATER SOLUBLE DBOV-DERIVATIVES NR1H4, HDGF, ABHD16A KIF11 4302/4885ADRA2A 2986/4885ADRA2B 3006/4885
US-20210388260-A1 USE OF A SUBSTITUTED OR UNSUBSTITUTED POLYCYCLIC AROMATIC HYDROCARBON COMPOUND FOR HIGH-RESOLUTION MICROSCOPY AHR, ARNT, SAMM50 KIF11 867/4885ADRA2A 1539/4885ADRA2B 931/4885
US-11958796-B2 Hydrophilic and particularly water soluble DBOV-derivatives NR1H4, HDGF, ABHD16A KIF11 4302/4885ADRA2A 2986/4885ADRA2B 3006/4885
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.