SCHEMBL3330316

SCHEMBL3330316

C1=CON(c2ccccc2)N1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.37
GSK3B P49841 3/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
ADRB1 P08588 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL31197661 0.78 MGLL (0.33) GSK3AGSK3BMAPK1LMNA
SCHEMBL11522594 0.70
SCHEMBL4397208 0.67 LMNA (0.37) GSK3AGSK3BGAAKDM4EATM
SCHEMBL5542692 0.61 GAA (0.30) GSK3AGSK3BGAA
SCHEMBL10818094 0.60 ALOX5 (0.44) GSK3AGSK3BGAAKDM4EL3MBTL1
SCHEMBL3462582 0.58 SIGMAR1 (0.39) GSK3AGSK3BGAAKDM4EHTR3E
SCHEMBL7113548 0.57 POLB (0.35) GSK3AGSK3BGAAKDM4EATM
SCHEMBL2466051 0.57 LMNA (0.42) GSK3AGSK3BGAAKDM4EATM
SCHEMBL19143101 0.57 KDM4E (0.46) GSK3AGSK3BGAAKDM4EATM
SCHEMBL24776903 0.55 MGLL (0.44) GSK3AGSK3BGAAATMMAPK1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585543-A2 CONDUCTIVE POLYMER ON A TEXTURED OR PLASTIC SUBSTRATE Massachusetts Institute Of Technology (US) 2013-05-01 EP disclosed
WO-2011163556-A2 CONDUCTIVE POLYMER ON A TEXTURED OR PLASTIC SUBSTRATE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-12-29 WO disclosed
WO-2010141800-A1 LIGHT EMITTING DEVICE INCLUDING SEMICONDUCTOR NANOCRYSTALS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-09 WO disclosed
US-20100145050-A1 ORTHOGONALLY FIXED COMPOUNDS FOR ELECTROOPTICAL APPLICATIONS TECHNISCHE UNIVERSITAT BRAUNSCHWEIG (DE) 2010-06-10 US disclosed
EP-1838805-B1 ORTHOGONALLY FIXED COMPOUNDS FOR ELECTROOPTICAL APPLICATIONS UNIV BRAUNSCHWEIG TECH (DE) 2009-12-02 EP disclosed
EP-2011157-A4 ELECTRONIC DEVICES CONTAINING ACENE-THIOPHENE COPOLYMERS WITH SILYLETHYNYL GROUPS 3M INNOVATIVE PROPERTIES CO (US) 2009-05-06 EP disclosed
EP-2011157-A1 ELECTRONIC DEVICES CONTAINING ACENE-THIOPHENE COPOLYMERS WITH SILYLETHYNYL GROUPS 3M Innovative Properties Company (US) 2009-01-07 EP disclosed
WO-2008149828-A1 ORGANOMETALLIC COMPLEX, AND LIGHT-EMITTING MATERIA LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-12-11 WO disclosed
WO-2008144549-A1 ORGANIC LIGHT EMITTING DEVICES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-11-27 WO disclosed
EP-1989725-A2 WHITE LIGHT EMITTING DEVICES THE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-11-12 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed
EP-1503997-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-02-09 EP disclosed
EP-1497393-A1 ELECTROLUMINESCENT MATERIALS AND METHODS OF MANUFACTURE AND USE 3M Innovative Properties Company (US) 2005-01-19 EP disclosed
EP-1493308-A1 LIGHT EMITTING DEVICE INCLUDING SEMICONDUCTOR NANOCRYSTALS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-01-05 EP disclosed
WO-2004096783-A1 ETHYNYL CONTAINING ELECTRON TRANSPORT AGENTS AND THEIR USE IN ORGANIC LUMINESCENT DEVICES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-11-11 WO disclosed
WO-2004061992-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND FABRICATION METHOD THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-22 WO disclosed
WO-2003097617-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-11-27 WO disclosed
WO-2003089542-A1 ELECTROLUMINESCENT MATERIALS AND METHODS OF MANUFACTURE AND USE 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-10-30 WO disclosed
WO-2003084292-A1 LIGHT EMITTING DEVICE INCLUDING SEMICONDUCTOR NANOCRYSTALS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2003-10-09 WO disclosed
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 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 (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-20100145050-A1 ORTHOGONALLY FIXED COMPOUNDS FOR ELECTROOPTICAL APPLICATIONS AQP4, SLC16A3, AQP1 GSK3A 4195/4885GSK3B 4352/4885GAA 4222/4885

“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.