SCHEMBL2747741

SCHEMBL2747741

COc1cc2c(Oc3ccc4c(C(=O)O)cccc4c3)ccnc2cc1OCCCN1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.62
AURKA O14965 15/20 0.62
TEK Q02763 15/20 0.62
LCK P06239 14/20 0.62
MET P08581 13/20 0.62
AURKB Q96GD4 11/20 0.62
LYN P07948 4/20 0.62
ABL1 P00519 2/20 0.62
FLT1 P17948 2/20 0.60
FGFR2 P21802 2/20 0.58
FGR P09769 1/20 0.58
PDXK O00764 1/20 0.56
RIPK2 O43353 1/20 0.56
RET P07949 1/20 0.56
PDGFRB P09619 1/20 0.56
FGFR1 P11362 1/20 0.56
FGFR3 P22607 1/20 0.56
FLT4 P35916 1/20 0.56
DDR1 Q08345 1/20 0.56
DDR2 Q16832 1/20 0.56

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
SCHEMBL2749370 0.99 KDR (0.63) KDRAURKATEKLCKMET
SCHEMBL2748792 0.92 KDR (0.60) KDRAURKATEKLCKMET
SCHEMBL2747636 0.88 KDR (0.62) KDRAURKATEKMETAURKB
SCHEMBL2747032 0.85 KDR (0.82) KDRAURKATEKLCKMET
SCHEMBL2748986 0.85 KDR (0.65) KDRAURKATEKLCKMET
Hydrochloric Acid SCHEMBL2746794 0.84 KDR (0.81) KDRAURKATEKLCKMET
SCHEMBL2748450 0.84 KDR (0.65) KDRAURKATEKLCKMET
SCHEMBL2754324 0.84 KDR (0.77) KDRAURKATEKLCKMET
SCHEMBL2748967 0.84 KDR (0.65) KDRAURKATEKLCKMET
SCHEMBL2747655 0.83 KDR (0.66) 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 12 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-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 4148/4885TEK 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.