SCHEMBL4832844

SCHEMBL4832844

COc1ccc(Nc2nc(NC3CCCCCC3)nc(N3CCCC3)n2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 6/20 0.59
GALR2 O43603 4/20 0.59
HTT P42858 4/20 0.57
MAPT P10636 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPK1 P28482 2/20 0.57
ALDH1A1 P00352 2/20 0.57
BLM P54132 1/20 0.57
NPSR1 Q6W5P4 2/20 0.56
TDP1 Q9NUW8 1/20 0.52
BCL6 P41182 1/20 0.51
ROCK1 Q13464 1/20 0.49
CCR4 P51679 1/20 0.48
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CTSL P07711 1/20 0.47

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
SCHEMBL4829622 1.00 GALR1 (0.59) GALR1GALR2HTTMAPTMEN1
SCHEMBL4837970 0.93 MEN1 (0.52) GALR1GALR2HTTMAPTMEN1
SCHEMBL4836931 0.92 MAPT (0.52) GALR1GALR2HTTMAPTMEN1
SCHEMBL4832326 0.90 BCL6 (0.59) GALR1GALR2HTTMAPTMEN1
SCHEMBL4835239 0.90 BCL6 (0.59) GALR1GALR2HTTMAPTMEN1
SCHEMBL4836523 0.90 BCL6 (0.59) GALR1GALR2HTTMAPTMEN1
SCHEMBL4829582 0.90 SYK (0.49) GALR1GALR2HTTMAPTMEN1
SCHEMBL4836989 0.88 GALR1 (0.47) GALR1GALR2HTTMAPTMEN1
SCHEMBL4838322 0.88 BCL6 (0.57) GALR1GALR2HTTMAPTMEN1
SCHEMBL14268849 0.87 GALR1 (0.55) GALR1GALR2HTTMAPTMEN1

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 71 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-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-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 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-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
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO 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-20040209880-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
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 GALR1 961/4885GALR2 668/4885HTT 805/4885
US-20040224950-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885GALR2 668/4885HTT 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 GALR1 1435/4885GALR2 981/4885HTT 1310/4885
US-20040209880-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885GALR2 668/4885HTT 805/4885
US-20040077648-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885GALR2 668/4885HTT 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.