SCHEMBL4548807

SCHEMBL4548807

COc1cc2ncc(C(N)=O)c(Oc3ccc4c(C(=O)Nc5cc(C(C)(C)C)on5)cccc4c3)c2cc1OC

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.74
CYP3A4 P08684 4/20 0.53
AURKA O14965 5/20 0.53
MET P08581 5/20 0.53
TEK Q02763 5/20 0.53
AURKB Q96GD4 4/20 0.53
LCK P06239 4/20 0.53
ABL1 P00519 1/20 0.53
LYN P07948 1/20 0.53
BRAF P15056 2/20 0.51
CSF1R P07333 1/20 0.51
FLT1 P17948 1/20 0.51
FGFR2 P21802 1/20 0.51
FLT4 P35916 1/20 0.51
CYP2D6 P10635 2/20 0.50
RAF1 P04049 1/20 0.49

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
SCHEMBL4548806 0.92 KDR (0.75) KDRCYP3A4AURKAMETTEK
SCHEMBL2748045 0.90 KDR (0.75) KDRCYP3A4AURKAMETTEK
SCHEMBL4548804 0.88 KDR (0.72) KDRCYP3A4AURKAMETTEK
SCHEMBL4548651 0.85 KDR (1.00) KDRCYP3A4AURKAMETTEK
SCHEMBL4548803 0.84 KDR (0.78) KDRAURKAMETTEKAURKB
SCHEMBL2747041 0.81 KDR (0.66) KDRCYP3A4AURKAMETTEK
SCHEMBL2748627 0.80 KDR (0.65) KDRCYP3A4AURKAMETTEK
SCHEMBL14018425 0.80 KDR (0.64) KDRCYP3A4AURKAMETTEK
SCHEMBL4548698 0.79 KDR (0.86) KDRCYP3A4AURKAMETTEK
SCHEMBL4821285 0.77 BRAF (0.71) KDRBRAFRAF1

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 8 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

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 348/4885AURKA 4148/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885CYP3A4 348/4885AURKA 4148/4885

“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.