SCHEMBL4836737

SCHEMBL4836737

COc1ccc(N(C)c2nc(CNc3cc[n+](C)cc3)nc(NC3CCCCCC3)n2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 5/20 0.40
BCL6 P41182 1/20 0.38
CCR4 P51679 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
MET P08581 1/20 0.37
PDGFRB P09619 1/20 0.37
PIM1 P11309 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 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
SCHEMBL4836743 0.87 CCR4 (0.42) GALR1BCL6CCR4AURKADAPK3
SCHEMBL4839842 0.79 EHMT2 (0.43) GALR1BCL6CCR4AURKADAPK3
SCHEMBL4837222 0.79 CCR4 (0.43) GALR1BCL6CCR4AURKADAPK3
SCHEMBL5457407 0.78 EHMT2 (0.53) BCL6CCR4AURKAAURKBSMN1; SMN2
SCHEMBL4836806 0.76 BCL6 (0.54) GALR1BCL6AURKADAPK3JAK2
SCHEMBL4838741 0.74 EHMT2 (0.39) GALR1BCL6CCR4MAPK8GALR2
SCHEMBL4837987 0.74 EHMT2 (0.50) BCL6CCR4AURKAAURKBSMN1; SMN2
SCHEMBL4836490 0.74 DRD2 (0.42) PDE5A
SCHEMBL5032287 0.73 KDM4E (0.38) GALR1BCL6CCR4FLT3CDK7
SCHEMBL4836809 0.72 BCL6 (0.54) GALR1BCL6CCR4GALR2SMN1; SMN2

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 6 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 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-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 (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-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885BCL6 2097/4885CCR4 2187/4885
US-20060258641-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885BCL6 2097/4885CCR4 2187/4885

“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.