SCHEMBL4836175

SCHEMBL4836175

c1ccc2cc(Nc3nc(NC4CCCCCC4)nc(N4CCOCC4)n3)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
KMT2A Q03164 3/20 0.53
HTT P42858 2/20 0.53
MEN1 O00255 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
BLM P54132 1/20 0.53
LMNA P02545 3/20 0.53
POLB P06746 2/20 0.53
TP53 P04637 1/20 0.53
ROCK1 Q13464 2/20 0.51
ADORA3 P0DMS8 1/20 0.49
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL4836939 0.88 LMNA (0.70) MAPTKMT2AHTTMEN1SMN1; SMN2
SCHEMBL4829472 0.83 MEN1 (0.73) MAPTKMT2AHTTMEN1SMN1; SMN2
SCHEMBL8050135 0.81 NPSR1 (0.65) MAPTKMT2AHTTMEN1SMN1; SMN2
SCHEMBL4836931 0.80 MAPT (0.52) MAPTKMT2AHTTMEN1SMN1; SMN2
SCHEMBL14503554 0.78 NPSR1 (0.70) MAPTKMT2AHTTMEN1SMN1; SMN2
SCHEMBL4066229 0.74 ADORA3 (0.59) MAPTKMT2AMEN1MAPK1TP53
SCHEMBL14504241 0.74 NPSR1 (0.68) MAPTKMT2AHTTMEN1SMN1; SMN2
SCHEMBL4836252 0.73 IDH2 (0.50) MAPTKMT2AHTTMEN1SMN1; SMN2
SCHEMBL29345146 0.73 LMNA (0.94) MAPTKMT2AHTTMEN1SMN1; SMN2
SCHEMBL14300336 0.73 HTT (0.60) MAPTKMT2AHTTMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043051-A1 Methods and compositions of novel triazine compounds TIMMER RICHARD T 2007-02-22 US claimed
US-7173032-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-02-06 US claimed
EP-1436266-A4 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-12-22 EP claimed
EP-1436266-A2 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2004-07-14 EP claimed
US-20040077648-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-04-22 US claimed
WO-2003024926-A2 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2003-03-27 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-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-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 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
EP-1436266-A2 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2004-07-14 EP disclosed
US-20040077648-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-04-22 US disclosed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO disclosed
WO-2003024926-A2 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2003-03-27 WO 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-20040209882-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS MAPT 3539/4885KMT2A 4102/4885HTT 805/4885
US-20070043051-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS MAPT 3539/4885KMT2A 4102/4885HTT 805/4885
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 MAPT 4022/4885KMT2A 3390/4885HTT 1310/4885
US-20040209880-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS MAPT 3539/4885KMT2A 4102/4885HTT 805/4885
US-20040077648-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS MAPT 3539/4885KMT2A 4102/4885HTT 805/4885

“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.