SCHEMBL2266577

SCHEMBL2266577

Nc1cccc(C#CC#Cc2cccc(N)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
CASP1 P29466 1/20 0.52
RECQL P46063 1/20 0.52
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
PDK1 Q15118 1/20 0.46
FFAR1 O14842 1/20 0.46
ADRB2 P07550 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA14 Q9ULX7 1/20 0.42
HCRTR1 O43613 1/20 0.41
MAOA P21397 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
SCHEMBL20717640 0.91 MAPT (0.50) CYP3A4CASP1RECQLPIK3CAMTOR
SCHEMBL9611198 0.91 MAPT (0.56) CYP3A4CASP1RECQLPIK3CAMTOR
SCHEMBL4968126 0.90 CYP3A4 (0.58) CYP3A4CASP1RECQLPIK3CAMTOR
SCHEMBL16341408 0.87 CYP3A4 (0.44) CYP3A4CASP1RECQLPIK3CAMTOR
SCHEMBL9611202 0.85 FFAR1 (0.59) CYP3A4CASP1RECQLPIK3CAMTOR
SCHEMBL10952447 0.83 CYP3A4 (0.50) CYP3A4CASP1RECQLPIK3CAMTOR
SCHEMBL29433431 0.83 CYP3A4 (0.50) CYP3A4CASP1RECQLPIK3CAMTOR
SCHEMBL2811255 0.83 MAPT (0.62) CYP3A4CASP1RECQLPIK3CAMTOR
SCHEMBL29462452 0.83 MAPT (0.62) CYP3A4CASP1RECQLPIK3CAMTOR
SCHEMBL1507506 0.83 CYP3A4 (0.50) CYP3A4CASP1RECQLPIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008083258-A1 POLYIMIDE/COPOLYIMIDE FILMS WITH LOW GLASS TRANSITION TEMPERATURE FOR USE AS HOT MELT ADHESIVES ADAPTIVENERGY, LLC. (US) 2008-07-10 WO claimed
JP-3038551-A None JP disclosed
EP-3628103-A1 NONAQUEOUS ELECTROLYTE, NONAQUEOUS ELECTROLYTE ENERGY STORAGE DEVICE, AND METHOD FOR PRODUCING NONAQUEOUS ELECTROLYTE ENERGY STORAGE DEVICE Robert Bosch GmbH (DE) 2020-04-01 EP disclosed
WO-2018224286-A1 NONAQUEOUS ELECTROLYTE, NONAQUEOUS ELECTROLYTE ENERGY STORAGE DEVICE, AND METHOD FOR PRODUCING NONAQUEOUS ELECTROLYTE ENERGY STORAGE DEVICE Lithium Energy and Power GmbH & Co. KG (DE) 2018-12-13 WO disclosed
US-20180163135-A1 LIQUID CRYSTAL POLYMERIZED FILMS USING ALIGNMENT FILM AND POLYMERIZABLE LIQUID CRYSTAL COMPOSTION JNC CORPORATION (JP) 2018-06-14 US disclosed
US-20180163135-A1 LIQUID CRYSTAL POLYMERIZED FILMS USING ALIGNMENT FILM AND POLYMERIZABLE LIQUID CRYSTAL COMPOSTION JNC CORPORATION (JP) 2018-06-14 US disclosed
EP-2085220-B1 Resin composition for laser engraving, relief printing plate precursor for laser engraving, relief printing plate and method of producing the same FUJIFILM CORP (JP) 2015-05-20 EP disclosed
US-8993523-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2015-03-31 US disclosed
US-8730435-B2 Liquid crystal display device having retardation film formed of liquid crystalline polyimide having photoreactive group JNC CORPORATION (JP) 2014-05-20 US disclosed
US-8730435-B2 Liquid crystal display device having retardation film formed of liquid crystalline polyimide having photoreactive group JNC CORPORATION (JP) 2014-05-20 US disclosed
US-20120113338-A1 LIQUID CRYSTAL DISPLAY DEVICE HAVING RETARDATION FILM FORMED OF LIQUID CRYSTALLINE POLYIMIDE HAVING PHOTOREACTIVE GROUP JNC PETROCHEMICAL CORPORATION (JP) 2012-05-10 US disclosed
US-20110206690-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-08-25 US disclosed
EP-2085220-A2 Resin composition for laser engraving, relief printing plate precursor for laser engraving, relief printing plate and method of producing the same FUJIFILM Corporation (JP) 2009-08-05 EP disclosed
US-20090191479-A1 RESIN COMPOSITION FOR LASER ENGRAVING, RELIEF PRINTING PLATE PRECURSOR FOR LASER ENGRAVING, RELIEF PRINTING PLATE AND METHOD OF PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2009-07-30 US disclosed
US-20080287705-A1 METHOD OF PRODUCING ETHYNYL COMPOUND, METHOD OF HANDLING ETHYNYL COMPOUND, AND METHOD OF USING ASCORBIC ACID OR SALT THEREOF FUJIFILM CORPORATION (JP) 2008-11-20 US disclosed
WO-2008083258-A1 POLYIMIDE/COPOLYIMIDE FILMS WITH LOW GLASS TRANSITION TEMPERATURE FOR USE AS HOT MELT ADHESIVES ADAPTIVENERGY, LLC. (US) 2008-07-10 WO disclosed
WO-2008083258-A1 POLYIMIDE/COPOLYIMIDE FILMS WITH LOW GLASS TRANSITION TEMPERATURE FOR USE AS HOT MELT ADHESIVES ADAPTIVENERGY, LLC. (US) 2008-07-10 WO disclosed
US-20070232780-A1 PHOTO-ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2007-10-04 US disclosed
US-20070232780-A1 PHOTO-ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2007-10-04 US disclosed
JP-H0338551-A PRODUCTION OF AROMATIC DIACETYLENE COMPOUND MITSUBISHI PETROCHEM CO LTD 1991-02-19 JP 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-20080287705-A1 METHOD OF PRODUCING ETHYNYL COMPOUND, METHOD OF HANDLING ETHYNYL COMPOUND, AND METHOD OF USING ASCORBIC ACID OR SALT THEREOF KEAP1, CBR1, PROC CYP3A4 214/4885CASP1 896/4885RECQL 503/4885
US-20110206690-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 CYP3A4 4840/4885CASP1 21/4885RECQL 2922/4885

“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.