SCHEMBL4829083

SCHEMBL4829083

COc1ccc(N(c2nc(N)nc(OCCOc3ccccc3F)n2)C2CCCCCC2)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.35
ALDH1A1 P00352 3/20 0.35
BCL6 P41182 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 3/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
TNK2 Q07912 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SPIN1 Q9Y657 1/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
ADORA2A P29274 2/20 0.32
TP53 P04637 1/20 0.32
GCK P35557 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL4832802 0.90 TNK2 (0.36) L3MBTL1ALDH1A1BCL6MAPK1MAPT
SCHEMBL5556168 0.79 SMN1; SMN2 (0.41) L3MBTL1ALDH1A1BCL6MAPK1MAPT
SCHEMBL5031294 0.77 SMN1; SMN2 (0.35) L3MBTL1ALDH1A1BCL6MAPK1MAPT
SCHEMBL4841050 0.75 SMN1; SMN2 (0.39) L3MBTL1ALDH1A1BCL6MAPK1RAB9A
SCHEMBL5553578 0.74 RECQL (0.39) L3MBTL1ALDH1A1MAPK1SMN1; SMN2KMT2A
SCHEMBL4874024 0.73 HRH4 (0.57)
SCHEMBL6919803 0.72 EHMT2 (0.45) BCL6MAPK1SMN1; SMN2SPIN1
SCHEMBL4836469 0.72 HRH4 (0.45) MAPK1SMN1; SMN2KMT2AHTT
SCHEMBL6016881 0.71 MAPK1 (0.36) L3MBTL1ALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL4829467 0.69 BCL6 (0.60) ALDH1A1BCL6MAPTRAB9ANPC1

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 12 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-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-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-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7169784-B2 Medical devices employing triazine compounds and compositions thereof 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-20060258641-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2006-11-16 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 L3MBTL1 4810/4885ALDH1A1 4407/4885BCL6 2097/4885
US-20070004729-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS L3MBTL1 4810/4885ALDH1A1 4407/4885BCL6 2097/4885
US-20050137196-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 L3MBTL1 4589/4885ALDH1A1 4548/4885BCL6 2670/4885
US-20060258641-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS L3MBTL1 4810/4885ALDH1A1 4407/4885BCL6 2097/4885
US-20060172984-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS L3MBTL1 4810/4885ALDH1A1 4407/4885BCL6 2097/4885

“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.