SCHEMBL4548836

SCHEMBL4548836

COc1cc2nccc(Oc3ccc4c(C(=O)NCCS(C)(=O)=O)cccc4c3)c2cc1OC

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.81
AURKA O14965 15/20 0.81
TEK Q02763 15/20 0.81
LCK P06239 13/20 0.81
MET P08581 13/20 0.81
AURKB Q96GD4 9/20 0.81
LYN P07948 3/20 0.81
FLT1 P17948 1/20 0.81
ABL1 P00519 2/20 0.70
FGR P09769 1/20 0.70
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67

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
SCHEMBL4548743 0.89 KDR (0.86) KDRAURKATEKLCKMET
SCHEMBL2746699 0.89 KDR (1.00) KDRAURKATEKLCKMET
SCHEMBL4548688 0.89 KDR (1.00) KDRAURKATEKLCKMET
SCHEMBL4548834 0.88 KDR (1.00) KDRAURKATEKLCKMET
SCHEMBL2747490 0.87 KDR (1.00) KDRAURKATEKLCKMET
SCHEMBL2747901 0.87 KDR (0.82) KDRAURKATEKLCKMET
SCHEMBL2749085 0.86 KDR (0.84) KDRAURKATEKLCKMET
SCHEMBL4548835 0.86 KDR (0.83) KDRAURKATEKLCKMET
SCHEMBL4820129 0.86 KDR (0.83) KDRAURKATEKLCKMET
SCHEMBL2747251 0.85 KDR (0.85) KDRAURKATEKLCKMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 4148/4885TEK 184/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885AURKA 4148/4885TEK 184/4885

“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.