SCHEMBL4836989

SCHEMBL4836989

COc1ccc(Nc2nc(NC3CCCCCC3)nc(N3CCN(C(C=O)N4CCCC4)CC3)n2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 7/20 0.47
GALR2 O43603 5/20 0.47
MAPT P10636 4/20 0.47
HTT P42858 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 2/20 0.47
BLM P54132 1/20 0.47
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
BCL6 P41182 1/20 0.43
CCR4 P51679 2/20 0.42
ROCK1 Q13464 1/20 0.41
PTGS2 P35354 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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 0.88 GALR1 (0.59) GALR1GALR2MAPTHTTSMN1; SMN2
SCHEMBL4832844 0.88 GALR1 (0.59) GALR1GALR2MAPTHTTSMN1; SMN2
SCHEMBL4837970 0.85 MEN1 (0.52) GALR1GALR2MAPTHTTSMN1; SMN2
SCHEMBL4829582 0.84 SYK (0.49) GALR1GALR2MAPTHTTSMN1; SMN2
SCHEMBL4836931 0.83 MAPT (0.52) GALR1GALR2MAPTHTTSMN1; SMN2
SCHEMBL4838646 0.81 GALR1 (0.48) GALR1GALR2MAPTHTTSMN1; SMN2
SCHEMBL4832326 0.81 BCL6 (0.59) GALR1GALR2MAPTHTTSMN1; SMN2
SCHEMBL4836523 0.81 BCL6 (0.59) GALR1GALR2MAPTHTTSMN1; SMN2
SCHEMBL4835239 0.81 BCL6 (0.59) GALR1GALR2MAPTHTTSMN1; SMN2
SCHEMBL5030859 0.81 GALR1 (0.46) GALR1GALR2MAPTHTTSMN1; 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 29 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
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-7332489-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-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-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 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
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-20050227983-A1 Triazine compounds and their analogs, compositions, and methods DR. REDDY'S LABORATORIES LTD. (IN) 2005-10-13 US disclosed
US-20050137196-A1 Medical devices employing triazine compounds and compositions thereof NATIONAL BANK OF CANADA (CA) 2005-06-23 US disclosed
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 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 (7 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-20050137196-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GALR1 1159/4885GALR2 712/4885MAPT 3475/4885
US-20050227983-A1 Triazine compounds and their analogs, compositions, and methods MYLK, SMAD3, GID4 GALR1 1307/4885GALR2 1003/4885MAPT 3690/4885
US-20060258641-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885GALR2 668/4885MAPT 3539/4885
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GALR1 1159/4885GALR2 712/4885MAPT 3475/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GALR1 1159/4885GALR2 712/4885MAPT 3475/4885
US-20060172984-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885GALR2 668/4885MAPT 3539/4885
US-20040077648-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885GALR2 668/4885MAPT 3539/4885

“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.