SCHEMBL5032214

SCHEMBL5032214

CN1CCC(N(C)c2nc(Nc3ccc(C(F)(F)F)c(F)c3)nc(NC3CCCCCC3)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 2/20 0.52
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
EHMT2 Q96KQ7 3/20 0.41
EHMT1 Q9H9B1 3/20 0.41
RAB9A P51151 1/20 0.40
PTK2 Q05397 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
AXL P30530 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
APP P05067 1/20 0.37
BCL6 P41182 1/20 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
SCHEMBL4829191 0.89 IDH2 (0.48) IDH2CTSSCTSKEHMT2EHMT1
SCHEMBL4837184 0.89 IDH2 (0.48) IDH2CTSSCTSKEHMT2EHMT1
SCHEMBL4838593 0.88 IDH2 (0.48) IDH2CTSSCTSKEHMT2EHMT1
SCHEMBL5038282 0.88 IDH2 (0.48) IDH2CTSSCTSKEHMT2EHMT1
SCHEMBL14268326 0.88 IDH2 (0.48) IDH2CTSSCTSKEHMT2EHMT1
SCHEMBL4839577 0.88 IDH2 (0.50) IDH2CTSSCTSKEHMT2EHMT1
SCHEMBL4832193 0.88 IDH2 (0.50) IDH2CTSSCTSKEHMT2EHMT1
SCHEMBL5030770 0.87 IDH2 (0.47) IDH2CTSSCTSKEHMT2EHMT1
SCHEMBL5033384 0.86 IDH2 (0.46) IDH2CTSSCTSKEHMT2EHMT1
SCHEMBL4829436 0.86 EHMT2 (0.50) IDH2CTSSCTSKEHMT2EHMT1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20070122444-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-31 US claimed
US-7132423-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-11-07 US claimed
EP-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed
US-20040224950-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-11-11 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-7332490-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20070122444-A1 Medical devices employing triazine compounds and compositions thereof AREG, TGFB1, TGFB2 IDH2 2895/4885CTSS 2373/4885CTSK 2950/4885
US-20040224950-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS IDH2 2587/4885CTSS 1860/4885CTSK 2714/4885
US-20060258641-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS IDH2 2587/4885CTSS 1860/4885CTSK 2714/4885

“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.