SCHEMBL4829397

SCHEMBL4829397

COc1ccc(Oc2nc(OC3CCCCCC3)nc(N(C)C3CCN(C)CC3)n2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 5/20 0.42
EHMT1 Q9H9B1 5/20 0.42
FPR2 P25090 2/20 0.38
PROKR1 Q8TCW9 2/20 0.38
TLR9 Q9NR96 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
PIK3CD O00329 1/20 0.37
NSD2 O96028 1/20 0.37
GPR6 P46095 5/20 0.36
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
NMT1 P30419 1/20 0.34
SLC2A1 P11166 1/20 0.34
KMT5A Q9NQR1 1/20 0.34

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
SCHEMBL4836323 0.90 FPR2 (0.45) FPR2PROKR1TLR7PIK3CDGPR6
SCHEMBL14293854 0.88 EHMT2 (0.35) EHMT2EHMT1NMT1
SCHEMBL5030662 0.85 EHMT2 (0.49) EHMT2EHMT1
SCHEMBL4832362 0.83 GALR1 (0.43) EHMT2EHMT1
SCHEMBL6234397 0.83 EHMT2 (0.53) EHMT2EHMT1KMT5A
SCHEMBL5550604 0.82 PIK3CD (0.39) EHMT2EHMT1FPR2PROKR1PIK3CD
SCHEMBL4829561 0.81 EHMT2 (0.46) EHMT2EHMT1FPR2PROKR1PIK3CD
SCHEMBL6209284 0.79 PDGFRB (0.39) FPR2PROKR1PIK3CDGPR6PDGFRB
SCHEMBL4829119 0.78 SRC (0.44) TLR9TLR7NSD2PDGFRBPDGFRA
SCHEMBL5441787 0.75 FAAH (0.40) FPR2PROKR1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-7169784-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7169784-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7169784-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-20070004729-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. 2007-01-04 US disclosed
US-20070004729-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. 2007-01-04 US disclosed
US-20070004729-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. 2007-01-04 US disclosed
US-20050137196-A1 Medical devices employing triazine compounds and compositions thereof NATIONAL BANK OF CANADA (CA) 2005-06-23 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-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS EHMT2 2905/4885EHMT1 2811/4885FPR2 368/4885
US-20070004729-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS EHMT2 2905/4885EHMT1 2811/4885FPR2 368/4885
US-20050137196-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 EHMT2 2474/4885EHMT1 2630/4885FPR2 654/4885

“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.