SCHEMBL4829856

SCHEMBL4829856

COc1ccc(Nc2nc(NCC3CCCN3C(N)=O)nc(NC3CCCCCC3)n2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 5/20 0.46
BCL6 P41182 2/20 0.42
EGFR P00533 1/20 0.41
GALR2 O43603 4/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
AXL P30530 2/20 0.37

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
SCHEMBL4838339 0.93 GALR1 (0.47) GALR1BCL6EGFRGALR2MEN1
SCHEMBL5553433 0.87 GALR1 (0.50) GALR1BCL6EGFRGALR2MEN1
SCHEMBL5553401 0.86 EGFR (0.44) GALR1BCL6EGFRGALR2MEN1
SCHEMBL5549905 0.86 GALR1 (0.43) GALR1BCL6EGFRGALR2MEN1
SCHEMBL5553415 0.85 GALR1 (0.47) GALR1BCL6EGFRGALR2MEN1
SCHEMBL4832620 0.85 GALR1 (0.49) GALR1BCL6GALR2MEN1MAPT
SCHEMBL4829485 0.85 GALR1 (0.49) GALR1BCL6GALR2MEN1MAPT
SCHEMBL4839380 0.85 GALR1 (0.49) GALR1BCL6GALR2MEN1MAPT
SCHEMBL4829056 0.85 GALR1 (0.49) GALR1BCL6GALR2MEN1MAPT
SCHEMBL4829538 0.85 GALR1 (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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268134-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-09-11 US claimed
US-7169784-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US claimed
US-7163943-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-16 US claimed
US-7112587-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-09-26 US claimed
EP-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
US-20050137196-A1 Medical devices employing triazine compounds and compositions thereof NATIONAL BANK OF CANADA (CA) 2005-06-23 US claimed
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-26 US claimed
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed
US-20040209880-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-21 US claimed
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 claimed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO claimed
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-7332489-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-20070004729-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. 2007-01-04 US disclosed
US-7112587-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-09-26 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
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-26 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 (6 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-20070004729-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885BCL6 2097/4885EGFR 157/4885
US-20050137196-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GALR1 1159/4885BCL6 2670/4885EGFR 94/4885
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GALR1 1159/4885BCL6 2670/4885EGFR 94/4885
US-20060172984-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885BCL6 2097/4885EGFR 157/4885
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 1435/4885BCL6 2367/4885EGFR 322/4885
US-20040209880-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885BCL6 2097/4885EGFR 157/4885

“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.