SCHEMBL2748142

SCHEMBL2748142

COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1cccc2cc(Oc3ccnc4cc(OCCCN5CCOCC5)c(OC)cc34)ccc12

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.65
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
MET P08581 7/20 0.57
AURKA O14965 1/20 0.57
LCK P06239 1/20 0.57
CSF1R P07333 1/20 0.57
BRAF P15056 1/20 0.57
FLT1 P17948 1/20 0.57
FGFR2 P21802 1/20 0.57
FLT4 P35916 1/20 0.57
TEK Q02763 1/20 0.57
AURKB Q96GD4 1/20 0.57
EGFR P00533 1/20 0.56
FLT3 P36888 1/20 0.55

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
SCHEMBL2747137 0.93 KDR (0.66) KDRCYP3A4CYP2D6METAURKA
SCHEMBL4548699 0.91 KDR (0.59) KDRCYP3A4CYP2D6METAURKA
SCHEMBL2747757 0.88 KDR (0.63) KDRCYP3A4CYP2D6METAURKA
SCHEMBL4548697 0.88 FLT3 (0.68) KDRCYP3A4CYP2D6METAURKA
SCHEMBL2748911 0.88 KDR (0.64) KDRCYP3A4CYP2D6METAURKA
SCHEMBL2747397 0.87 KDR (0.75) KDRCYP3A4CYP2D6METAURKA
SCHEMBL4548694 0.87 KDR (0.75) KDRCYP3A4CYP2D6METAURKA
SCHEMBL14018227 0.86 KDR (0.62) KDRCYP3A4CYP2D6METAURKA
SCHEMBL4548693 0.86 KDR (0.76) KDRCYP3A4CYP2D6METAURKA
SCHEMBL4548708 0.85 KDR (0.67) KDRCYP3A4CYP2D6METAURKA

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-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

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 354/4885CYP3A4 348/4885CYP2D6 363/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885CYP3A4 348/4885CYP2D6 363/4885

“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.