SCHEMBL4838879

SCHEMBL4838879

CCN1CCCC1CNc1nc(NCc2ccco2)nc(Nc2ccc(OC)c(F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
KCNH3 Q9ULD8 3/20 0.45
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
EGFR P00533 1/20 0.44
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GALR1 P47211 2/20 0.42
DRD2 P14416 1/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GALR2 O43603 1/20 0.41
GAA P10253 1/20 0.40
ALOX15 P16050 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
SCHEMBL4829744 0.90 DRD2 (0.50) GALR1DRD2GALR2
SCHEMBL4832495 0.90 DRD2 (0.50) GALR1DRD2GALR2
SCHEMBL4836437 0.87 GALR1 (0.48) GALR1DRD2GALR2
SCHEMBL4836079 0.87 GALR1 (0.45) KCNH3LMNAGALR1DRD2SMN1; SMN2
SCHEMBL5031357 0.86 GALR1 (0.54) GALR1DRD2GALR2
SCHEMBL5434490 0.86 GALR1 (0.47) GALR1DRD2GALR2
SCHEMBL5029158 0.86 GALR1 (0.57) GALR1DRD2GALR2
SCHEMBL5029190 0.86 GALR1 (0.47) GALR1DRD2GALR2
SCHEMBL5551996 0.86 GALR1 (0.47) MAPTLMNAGALR1DRD2TSHR
SCHEMBL4836345 0.85 KCNH3 (0.45) MAPTKCNH3ALDH1A1LMNAGALR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US claimed
US-7173032-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-02-06 US claimed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US claimed
EP-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 US claimed
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed
US-20040209882-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-21 US claimed
US-20040077648-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-04-22 US claimed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 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-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-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-20040209882-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS MAPT 3539/4885KCNH3 4632/4885ALDH1A1 4407/4885
US-20050137196-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 MAPT 3475/4885KCNH3 4559/4885ALDH1A1 4548/4885
US-20050227983-A1 Triazine compounds and their analogs, compositions, and methods MYLK, SMAD3, GID4 MAPT 3690/4885KCNH3 4434/4885ALDH1A1 4331/4885
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 MAPT 3475/4885KCNH3 4559/4885ALDH1A1 4548/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 MAPT 3475/4885KCNH3 4559/4885ALDH1A1 4548/4885
US-20060172984-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS MAPT 3539/4885KCNH3 4632/4885ALDH1A1 4407/4885
US-20040077648-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS MAPT 3539/4885KCNH3 4632/4885ALDH1A1 4407/4885

“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.