SCHEMBL5033412

SCHEMBL5033412

CC(C)Oc1ccc(N(c2nc(N)nc(N(C)C3CCN(C)CC3)n2)C2CCCCCC2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 4/20 0.38
EHMT1 Q9H9B1 4/20 0.38
DRD2 P14416 6/20 0.34
HTR2A P28223 6/20 0.34
HTR7 P34969 4/20 0.34
HTR6 P50406 4/20 0.34
SLC2A1 P11166 1/20 0.33
HTR1A P08908 3/20 0.33
P2RX3 P56373 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
SPIN1 Q9Y657 1/20 0.32
GMNN O75496 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
PMP22 Q01453 1/20 0.32

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
SCHEMBL6919803 0.90 EHMT2 (0.45) EHMT2EHMT1SLC2A1SPIN1SMN1; SMN2
SCHEMBL6237774 0.81 EHMT2 (0.45) EHMT2EHMT1DRD2HTR2AHTR6
SCHEMBL6430010 0.78 EHMT2 (0.37) EHMT2EHMT1HTR2ASPIN1NMT1
SCHEMBL6609401 0.77 EHMT2 (0.41) EHMT2EHMT1SLC2A1SPIN1SMN1; SMN2
SCHEMBL4874024 0.76 HRH4 (0.57) DRD2HTR2AHTR7HTR6HTR1A
SCHEMBL6016881 0.76 MAPK1 (0.36) EHMT2EHMT1SLC2A1SPIN1ALDH1A1
SCHEMBL6234157 0.76 NMT1 (0.37) EHMT2EHMT1HTR2ANMT1AXL
SCHEMBL5553438 0.74 NMT1 (0.38) EHMT2EHMT1DRD2HTR2AHTR7
Citric Acid SCHEMBL6865211 0.73 EHMT2 (0.37) EHMT2EHMT1HTR2ASLC2A1SPIN1
SCHEMBL5556168 0.73 SMN1; SMN2 (0.41) ALDH1A1LMNASMN1; SMN2HRH4

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 7 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
US-20040224950-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-11-11 US claimed
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO claimed

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

For each of this compound's patents that has machine-readable text (2 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 EHMT2 2566/4885EHMT1 2678/4885DRD2 4569/4885
US-20040224950-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS EHMT2 2905/4885EHMT1 2811/4885DRD2 4772/4885

“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.