SCHEMBL4836743

SCHEMBL4836743

COc1ccc(N(C)c2nc(NC3CCCCCC3)nc(N(C)c3cc[n+](C)cc3)n2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.42
MERTK Q12866 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BCL6 P41182 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
AGER Q15109 1/20 0.40
KMT2A Q03164 1/20 0.40
EHMT2 Q96KQ7 2/20 0.38
EHMT1 Q9H9B1 2/20 0.38
GALR1 P47211 4/20 0.37
GALR2 O43603 3/20 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
SCHEMBL4837222 0.89 CCR4 (0.43) CCR4MERTKSMN1; SMN2BCL6KDM4E
SCHEMBL4839842 0.87 EHMT2 (0.43) CCR4MERTKSMN1; SMN2BCL6KDM4E
SCHEMBL4836737 0.87 GALR1 (0.40) CCR4MERTKSMN1; SMN2BCL6KDM4E
SCHEMBL5457407 0.84 EHMT2 (0.53) CCR4SMN1; SMN2BCL6KDM4EALDH1A1
SCHEMBL4837987 0.82 EHMT2 (0.50) CCR4SMN1; SMN2BCL6KDM4EALDH1A1
SCHEMBL4838741 0.82 EHMT2 (0.39) CCR4MERTKSMN1; SMN2BCL6KDM4E
SCHEMBL5032287 0.81 KDM4E (0.38) CCR4MERTKSMN1; SMN2BCL6KDM4E
SCHEMBL4836809 0.81 BCL6 (0.54) CCR4SMN1; SMN2BCL6LMNAMAPT
SCHEMBL4832215 0.80 EHMT2 (0.44) CCR4MERTKSMN1; SMN2BCL6KDM4E
SCHEMBL4832874 0.78 GALR1 (0.47) CCR4SMN1; SMN2BCL6MAPTKMT2A

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 16 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
US-20040224950-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-11-11 US 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-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332489-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-20070122444-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-31 US disclosed
US-20070122444-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-31 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 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

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

For each of this compound's patents that has machine-readable text (4 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-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS CCR4 2187/4885MERTK 556/4885SMN1; SMN2 4172/4885
US-20070122444-A1 Medical devices employing triazine compounds and compositions thereof AREG, TGFB1, TGFB2 CCR4 2172/4885MERTK 139/4885SMN1; SMN2 3890/4885
US-20040224950-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS CCR4 2187/4885MERTK 556/4885SMN1; SMN2 4172/4885
US-20060258641-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS CCR4 2187/4885MERTK 556/4885SMN1; SMN2 4172/4885

“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.