SCHEMBL4836907

SCHEMBL4836907

COc1ccc(Nc2nc(NC3CCCCCC3)nc(N(C)C3CCN(COP(=O)(O)O)CC3)n2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 5/20 0.40
BCL6 P41182 2/20 0.40
GALR2 O43603 4/20 0.38
EGFR P00533 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AXL P30530 5/20 0.37
EHMT2 Q96KQ7 2/20 0.36
EHMT1 Q9H9B1 2/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ACKR3 P25106 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
SCHEMBL5030764 0.86 GALR1 (0.40) GALR1BCL6GALR2EGFRMEN1
SCHEMBL4838644 0.86 IDH2 (0.40) BCL6EGFRAXLEHMT2EHMT1
Hydrochloric Acid SCHEMBL4838629 0.85 GALR1 (0.39) GALR1BCL6GALR2MEN1MAPT
SCHEMBL4829436 0.85 EHMT2 (0.50) GALR1BCL6GALR2MEN1MAPT
SCHEMBL4838437 0.84 BCL6 (0.43) GALR1BCL6GALR2EGFRMEN1
Bromide SCHEMBL6016985 0.84 EHMT2 (0.49) GALR1BCL6GALR2MEN1MAPT
Hydrochloric Acid SCHEMBL5550552 0.84 EHMT2 (0.49) GALR1BCL6GALR2MEN1MAPT
Malonic Acid SCHEMBL4829481 0.84 EHMT2 (0.45) GALR1BCL6GALR2EGFRAXL
SCHEMBL4837995 0.84 IDH2 (0.42) BCL6EGFRMEN1MAPTHTT
Hydrochloric Acid SCHEMBL5550550 0.83 EHMT2 (0.49) GALR1BCL6GALR2MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20070122444-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-31 US claimed
US-7132423-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-11-07 US claimed
EP-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed
US-20040224950-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-11-11 US claimed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO 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-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-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-7332490-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-7332490-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 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-20070122444-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-31 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-20060258641-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2006-11-16 US disclosed
US-7132423-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-11-07 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 (4 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-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885BCL6 2097/4885GALR2 668/4885
US-20070122444-A1 Medical devices employing triazine compounds and compositions thereof AREG, TGFB1, TGFB2 GALR1 1210/4885BCL6 2802/4885GALR2 696/4885
US-20040224950-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885BCL6 2097/4885GALR2 668/4885
US-20060258641-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885BCL6 2097/4885GALR2 668/4885

“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.