SCHEMBL2747351

SCHEMBL2747351

COc1cc2nccc(Oc3ccc4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4c3)c2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.59
AURKA O14965 4/20 0.58
MET P08581 4/20 0.58
TEK Q02763 4/20 0.58
AURKB Q96GD4 3/20 0.58
PIK3CA P42336 1/20 0.58
MAPK14 Q16539 1/20 0.58
CYP3A4 P08684 1/20 0.55
FGFR2 P21802 1/20 0.52
LCK P06239 3/20 0.52
CLK2 P49760 1/20 0.50
IRAK1 P51617 1/20 0.50
NEK4 P51957 1/20 0.50
MAP4K2 Q12851 1/20 0.50
HIPK4 Q8NE63 1/20 0.50
SRPK1 Q96SB4 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
MAP3K20 Q9NYL2 1/20 0.50
STK17A Q9UEE5 1/20 0.50

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
SCHEMBL2748482 0.88 KDR (0.77) KDRAURKAMETTEKAURKB
SCHEMBL4548873 0.86 KDR (0.72) KDRAURKAMETTEKAURKB
SCHEMBL4548852 0.85 KDR (0.71) KDRAURKAMETTEKAURKB
SCHEMBL4556105 0.85 KDR (0.82) KDRAURKAMETTEKAURKB
SCHEMBL2748163 0.83 KDR (0.61) KDRAURKAMETTEKAURKB
SCHEMBL2747108 0.83 KDR (0.72) KDRAURKAMETTEKAURKB
SCHEMBL2746904 0.83 KDR (0.73) KDRAURKAMETTEKAURKB
SCHEMBL2748122 0.82 KDR (0.73) KDRAURKAMETTEKAURKB
SCHEMBL2748250 0.82 KDR (0.72) KDRAURKAMETTEKAURKB
SCHEMBL2749180 0.82 KDR (0.74) KDRAURKAMETTEKAURKB

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
JP-2007518824-A 2007-07-12 JP claimed
US-20060241115-A1 Compounds and methods of use AMGEN INC. 2006-10-26 US claimed
EP-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP claimed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 WO claimed
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-20060241115-A1 Compounds and methods of use AMGEN INC. 2006-10-26 US disclosed
EP-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 WO 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-20060241115-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885AURKA 4148/4885MET 3/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885AURKA 4148/4885MET 3/4885

“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.