SCHEMBL4548666

SCHEMBL4548666

O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2cc(Oc3ccnc4[nH]ccc34)ccc12

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.71
BRAF P15056 2/20 0.64
MAPK14 Q16539 1/20 0.64
TNNI3K Q59H18 1/20 0.64
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
FLT1 P17948 2/20 0.56
FLT4 P35916 2/20 0.56
RET P07949 1/20 0.56
PDGFRB P09619 1/20 0.56
KIT P10721 1/20 0.56
MET P08581 5/20 0.55
AURKA O14965 1/20 0.55
LCK P06239 1/20 0.55
CSF1R P07333 1/20 0.55
FGFR2 P21802 1/20 0.55
TEK Q02763 1/20 0.55
AURKB Q96GD4 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
SCHEMBL4548668 0.92 KDR (0.71) KDRBRAFMAPK14TNNI3KCYP3A4
SCHEMBL4548667 0.91 KDR (0.59) KDRBRAFMAPK14TNNI3KCYP3A4
SCHEMBL4548663 0.90 KDR (0.69) KDRBRAFCYP3A4CYP2D6FLT1
SCHEMBL2747428 0.89 KDR (0.68) KDRBRAFCYP3A4CYP2D6FLT1
SCHEMBL4548664 0.88 KDR (0.74) KDRBRAFCYP3A4CYP2D6FLT1
SCHEMBL4548665 0.88 KDR (0.61) KDRBRAFCYP3A4CYP2D6FLT1
SCHEMBL2748584 0.88 KDR (0.70) KDRBRAFCYP3A4CYP2D6FLT1
SCHEMBL4548675 0.87 KDR (0.70) KDRBRAFCYP3A4CYP2D6FLT1
SCHEMBL4548922 0.86 KDR (0.79) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL2747222 0.85 KDR (0.57) KDRBRAFMAPK14TNNI3KMET

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 6 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885BRAF 170/4885MAPK14 1944/4885

“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.