SCHEMBL4838744

SCHEMBL4838744

COc1ccc(Nc2nc(NC3CCCCCC3)nc(NC3CC4CCC3CC4)n2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 2/20 0.56
MAPT P10636 3/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CTSL P07711 2/20 0.45
CTSS P25774 2/20 0.45
CTSK P43235 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPHB4 P54760 1/20 0.43
GALR2 O43603 1/20 0.42
GALR1 P47211 1/20 0.42
CTSV O60911 1/20 0.41
PLAT P00750 1/20 0.41
CTSH P09668 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
SCHEMBL4838063 0.95 BCL6 (0.55) BCL6MAPTGAARAB9ANPC1
SCHEMBL4836573 0.89 BCL6 (0.68) BCL6MAPTGAARAB9ANPC1
SCHEMBL4840577 0.88 BCL6 (0.49) BCL6MAPTRAB9ASMN1; SMN2CTSL
SCHEMBL4832167 0.85 BCL6 (0.55) BCL6MAPTGAARAB9ANPC1
SCHEMBL4829781 0.85 RAB9A (0.65) BCL6MAPTGAARAB9ANPC1
SCHEMBL14294403 0.85 RAB9A (0.47) BCL6RAB9ACTSLCTSSCTSK
SCHEMBL4835764 0.84 MAPT (0.69) BCL6MAPTGAARAB9ANPC1
SCHEMBL14268318 0.84 BCL6 (0.63) BCL6MAPTGAARAB9ANPC1
SCHEMBL4829757 0.83 BCL6 (0.62) BCL6MAPTGAARAB9ANPC1
SCHEMBL4838606 0.83 SMN1; SMN2 (0.64) BCL6MAPTGAARAB9ANPC1

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 18 patents. 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
US-20040224950-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-11-11 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-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-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-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 BCL6 2097/4885MAPT 3539/4885GAA 852/4885
US-20070122444-A1 Medical devices employing triazine compounds and compositions thereof AREG, TGFB1, TGFB2 BCL6 2802/4885MAPT 2787/4885GAA 1053/4885
US-20040224950-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS BCL6 2097/4885MAPT 3539/4885GAA 852/4885
US-20060258641-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS BCL6 2097/4885MAPT 3539/4885GAA 852/4885

“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.