SCHEMBL821678

SCHEMBL821678

CCCCCCCc1nc(N)nc(N)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.65
DHFR P00374 1/20 0.44
TLR8 Q9NR97 4/20 0.43
TLR7 Q9NYK1 2/20 0.43
ALDH1A1 P00352 3/20 0.42
KCNH2 Q12809 1/20 0.42
HRH4 Q9H3N8 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
HPGD P15428 2/20 0.38
PKM P14618 1/20 0.38
HTR2A P28223 1/20 0.38
TSHR P16473 2/20 0.37
GPR84 Q9NQS5 1/20 0.37
THRB P10828 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL21327780 1.00 CASP1 (0.65) CASP1DHFRTLR8TLR7ALDH1A1
SCHEMBL113501 1.00 CASP1 (0.65) CASP1DHFRTLR8TLR7ALDH1A1
SCHEMBL379144 1.00 CASP1 (0.65) CASP1DHFRTLR8TLR7ALDH1A1
SCHEMBL8141652 1.00 CASP1 (0.65) CASP1DHFRTLR8TLR7ALDH1A1
SCHEMBL9488393 1.00 CASP1 (0.65) CASP1DHFRTLR8TLR7ALDH1A1
SCHEMBL10983992 1.00 CASP1 (0.65) CASP1DHFRTLR8TLR7ALDH1A1
SCHEMBL11408908 1.00 CASP1 (0.65) CASP1DHFRTLR8TLR7ALDH1A1
SCHEMBL821896 1.00 CASP1 (0.65) CASP1DHFRTLR8TLR7ALDH1A1
SCHEMBL1639952 0.98 CASP1 (0.68) CASP1DHFRTLR8TLR7ALDH1A1
SCHEMBL2623157 0.95 CASP1 (0.58) CASP1DHFRTLR8TLR7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9151883-B2 Cellulose acylate film, retardation film, polarizer and liquid-crystal display device FUJIFILM CORPORATION (JP) 2015-10-06 US disclosed
US-9151883-B2 Cellulose acylate film, retardation film, polarizer and liquid-crystal display device FUJIFILM CORPORATION (JP) 2015-10-06 US disclosed
US-8937696-B2 Cellulose acylate film, its production method, polarizer and liquid crystal display device FUJIFILM CORPORATION (JP) 2015-01-20 US disclosed
US-8937696-B2 Cellulose acylate film, its production method, polarizer and liquid crystal display device FUJIFILM CORPORATION (JP) 2015-01-20 US disclosed
US-8906475-B2 Cellulose acylate film, retardation film, polarizer and liquid-crystal display device FUJIFILM CORPORATION (JP) 2014-12-09 US disclosed
US-8906475-B2 Cellulose acylate film, retardation film, polarizer and liquid-crystal display device FUJIFILM CORPORATION (JP) 2014-12-09 US disclosed
US-20140318413-A1 CELLULOSE ACYLATE FILM, RETARDATION FILM, POLARIZER AND LIQUID-CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2014-10-30 US disclosed
US-20140318413-A1 CELLULOSE ACYLATE FILM, RETARDATION FILM, POLARIZER AND LIQUID-CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2014-10-30 US disclosed
US-8792071-B2 Cellulose acylate film, its production method, polarizer and liquid crystal display device FUJIFILM CORPORATION (JP) 2014-07-29 US disclosed
US-8792071-B2 Cellulose acylate film, its production method, polarizer and liquid crystal display device FUJIFILM CORPORATION (JP) 2014-07-29 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-20070004729-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. 2007-01-04 US disclosed
US-7112587-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-09-26 US disclosed
US-20050137196-A1 Medical devices employing triazine compounds and compositions thereof NATIONAL BANK OF CANADA (CA) 2005-06-23 US disclosed
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO disclosed
EP-0725677-B1 COLORANT COMPOSITIONS AND PROCESSES MINNESOTA MINING & MFG (US) 1999-04-21 EP disclosed
US-5597557-A HAIR DYE WITH COLOR AND REACTION PRODUCT OF FORMALDEHYDE, UREA, CYCLIC POLYAMINE TRIAZINE AND ACID MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-01-28 US disclosed
US-5411802-A Amino resins formed by polymerization and agglomeration MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-05-02 US disclosed
US-4211688-A Process for dyeing high-molecular organic material in the melt CIBA-GEIGY CORPORATION (US) 1980-07-08 US disclosed
US-3972849-A MILLED PARTICULATE, MOVING REACTION VESSEL CONTAINING CARRIER BODIES BASF AKTIENGESELLSCHAFT (DT) 1976-08-03 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 (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-20070004729-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS CASP1 2616/4885DHFR 1766/4885TLR8 746/4885
US-20050137196-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 CASP1 2854/4885DHFR 2823/4885TLR8 323/4885

“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.