SCHEMBL4549004

SCHEMBL4549004

COc1cc2nccc(Oc3ccc4c(C(=O)Nc5cccc(C)c5)cccc4c3F)c2cc1OC

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.78
PDGFRA P16234 1/20 0.61
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
SRC P12931 1/20 0.56
TGFBR1 P36897 1/20 0.56
MET P08581 2/20 0.55
AURKA O14965 1/20 0.55
LCK P06239 1/20 0.55
CSF1R P07333 1/20 0.55
BRAF P15056 1/20 0.55
FLT1 P17948 1/20 0.55
FGFR2 P21802 1/20 0.55
FLT4 P35916 1/20 0.55
TEK Q02763 1/20 0.55
AURKB Q96GD4 1/20 0.55
AXL P30530 2/20 0.54

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
SCHEMBL4549000 0.92 KDR (0.85) KDRPDGFRACYP3A4CYP2D6SRC
SCHEMBL4549001 0.92 KDR (0.79) KDRPDGFRACYP3A4CYP2D6MET
SCHEMBL2747336 0.92 KDR (0.85) KDRPDGFRACYP3A4CYP2D6MET
SCHEMBL4548999 0.90 KDR (0.85) KDRPDGFRACYP3A4CYP2D6MET
SCHEMBL4549003 0.90 KDR (0.84) KDRPDGFRACYP3A4CYP2D6MET
SCHEMBL4549002 0.89 KDR (0.87) KDRPDGFRACYP3A4CYP2D6SRC
SCHEMBL4548998 0.88 KDR (0.84) KDRPDGFRACYP3A4CYP2D6MET
SCHEMBL4549006 0.88 KDR (1.00) KDRPDGFRACYP3A4CYP2D6MET
SCHEMBL4549007 0.87 FLT3 (0.75) KDRPDGFRASRCMETAURKA
SCHEMBL2747740 0.86 KDR (0.75) KDRCYP3A4CYP2D6SRCTGFBR1

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 354/4885PDGFRA 49/4885CYP3A4 348/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885PDGFRA 49/4885CYP3A4 348/4885

“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.