SCHEMBL4841220

SCHEMBL4841220

CCN1CCCC1CNc1nc(Nc2cccc3cccnc23)nc(NC2CCCCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
VNN1 O95497 1/20 0.39
ACHE P22303 1/20 0.38
PIM1 P11309 2/20 0.37
PIM2 Q9P1W9 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
SYK P43405 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
S100A4 P26447 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL4836544 0.84 KDM4E (0.46) ALDH1A1KDM4EHSD17B10TP53CYP3A4
SCHEMBL4835587 0.83 SIRT5 (0.48) ALDH1A1KDM4EHSD17B10TP53CYP3A4
SCHEMBL4837847 0.83 KDM4E (0.43) ALDH1A1KDM4EHSD17B10TP53CYP3A4
SCHEMBL4838822 0.83 ACHE (0.45) ALDH1A1KDM4EHSD17B10TP53CYP3A4
SCHEMBL4839424 0.83 MAPK8 (0.46) ALDH1A1KDM4EHSD17B10TP53CYP3A4
SCHEMBL4839550 0.82 PIK3CD (0.43) VNN1SYKRAB9A
SCHEMBL14268895 0.81 ACHE (0.47) ALDH1A1KDM4EHSD17B10TP53CYP3A4
SCHEMBL5550443 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10TP53CYP3A4
SCHEMBL14268797 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10TP53CYP3A4
SCHEMBL5549911 0.80 DRD2 (0.43) ALDH1A1KDM4EHSD17B10TP53CYP3A4

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 58 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-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 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-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-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-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 (8 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 ALDH1A1 4407/4885KDM4E 3314/4885HSD17B10 1873/4885
US-20050137196-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 ALDH1A1 4548/4885KDM4E 3030/4885HSD17B10 2099/4885
US-20050227983-A1 Triazine compounds and their analogs, compositions, and methods MYLK, SMAD3, GID4 ALDH1A1 4331/4885KDM4E 1233/4885HSD17B10 3557/4885
US-20060258641-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS ALDH1A1 4407/4885KDM4E 3314/4885HSD17B10 1873/4885
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 ALDH1A1 4548/4885KDM4E 3030/4885HSD17B10 2099/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 ALDH1A1 4548/4885KDM4E 3030/4885HSD17B10 2099/4885
US-20060172984-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS ALDH1A1 4407/4885KDM4E 3314/4885HSD17B10 1873/4885
US-20040077648-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS ALDH1A1 4407/4885KDM4E 3314/4885HSD17B10 1873/4885

“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.