SCHEMBL4832263

SCHEMBL4832263

COc1ccc(N(c2nc(N)nc(N(C)C3CCNCC3)n2)N2CCCCCC2)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.37
NMT1 P30419 1/20 0.36
SPIN1 Q9Y657 1/20 0.36
EHMT2 Q96KQ7 5/20 0.35
EHMT1 Q9H9B1 4/20 0.35
HRH4 Q9H3N8 2/20 0.34
KMT5A Q9NQR1 2/20 0.34
RECQL P46063 1/20 0.33
BCL6 P41182 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TLR9 Q9NR96 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
SUV39H2 Q9H5I1 1/20 0.31
WHR1 P49842 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
SCHEMBL6820037 0.82 HRH4 (0.40) HRH4RECQLSMN1; SMN2SUV39H2
SCHEMBL6919803 0.76 EHMT2 (0.45) SLC2A1NMT1SPIN1EHMT2EHMT1
SCHEMBL6609401 0.74 EHMT2 (0.41) SLC2A1SPIN1EHMT2EHMT1HRH4
SCHEMBL6863012 0.73 SLC6A2 (0.34) SLC2A1NMT1SPIN1EHMT2EHMT1
SCHEMBL6016881 0.71 MAPK1 (0.36) SLC2A1SPIN1EHMT2EHMT1HRH4
SCHEMBL4838341 0.71 MAPT (0.43) EHMT2EHMT1RECQLBCL6
SCHEMBL5424507 0.68 SLC6A2 (0.40) SLC2A1NMT1SPIN1
SCHEMBL5556168 0.68 SMN1; SMN2 (0.41) HRH4RECQLBCL6SMN1; SMN2
SCHEMBL6862314 0.67 KDM1A (0.39) NMT1EHMT2EHMT1KMT5ABCL6
SCHEMBL5033412 0.67 EHMT2 (0.38) SLC2A1NMT1SPIN1EHMT2EHMT1

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
US-7173032-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-02-06 US claimed
US-20040077648-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-04-22 US claimed
US-7335656-B2 Stent with a disposed traiazine compound such as 6-(3-Chloro-4-methoxy-phenoxy)-N-cycloheptyl-N'-methyl-N'-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4-diamine for inhibiting smooth muscle proliferation; restenosis and atherosclerosis REDDY US THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332490-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7268134-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-09-11 US disclosed
US-7265114-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-09-04 US disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-20070122444-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-31 US disclosed
US-20070117795-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-24 US disclosed
US-7112587-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-09-26 US disclosed
US-20060172984-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2006-08-03 US disclosed
US-20050137196-A1 Medical devices employing triazine compounds and compositions thereof NATIONAL BANK OF CANADA (CA) 2005-06-23 US disclosed
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 US disclosed
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-26 US disclosed
US-20040224950-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-11-11 US disclosed
US-20040209882-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-21 US disclosed
US-20040209881-A1 e.g., N-Cycloheptyl-N'(1-ethyl-pyrrolidin-2-ylmethyl)-6-(3-fluoro-4-methoxy-phenoxy)-[1,3,5]triazine-2,4-diamine; treating unwanted cellular proliferation, an inflammation mediated disease, or a hyperproliferative disease, or modulating a glycosidase enzyme DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-21 US disclosed
US-20040209880-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-21 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 (11 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-20040209882-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS SLC2A1 616/4885NMT1 1911/4885SPIN1 4353/4885
US-20050137196-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 SLC2A1 481/4885NMT1 2486/4885SPIN1 4497/4885
US-20070122444-A1 Medical devices employing triazine compounds and compositions thereof AREG, TGFB1, TGFB2 SLC2A1 636/4885NMT1 2773/4885SPIN1 4480/4885
US-20040224950-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS SLC2A1 616/4885NMT1 1911/4885SPIN1 4353/4885
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 SLC2A1 481/4885NMT1 2486/4885SPIN1 4497/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 SLC2A1 481/4885NMT1 2486/4885SPIN1 4497/4885
US-20060172984-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS SLC2A1 616/4885NMT1 1911/4885SPIN1 4353/4885
US-20040209881-A1 e.g., N-Cycloheptyl-N'(1-ethyl-pyrrolidin-2-ylmethyl)-6-(3-fluoro-4-methoxy-phenoxy)-[1,3,5]triazine-2,4-diamine; treating unwanted cellular proliferation, an inflammation mediated disease, or a hyperproliferative disease, or modulating a glycosidase enzyme ENGASE, LIPG, GPI SLC2A1 542/4885NMT1 560/4885SPIN1 3414/4885
US-20040209880-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS SLC2A1 616/4885NMT1 1911/4885SPIN1 4353/4885
US-20040077648-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS SLC2A1 616/4885NMT1 1911/4885SPIN1 4353/4885
US-20070117795-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS SLC2A1 616/4885NMT1 1911/4885SPIN1 4353/4885

“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.