SCHEMBL4548941

SCHEMBL4548941

O=C(Nc1cc(F)cc(F)c1)c1cccc2cc(Oc3ncnc4[nH]ccc34)ccc12

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.77
TRPA1 O75762 2/20 0.51
BRAF P15056 1/20 0.50
MAPK14 Q16539 1/20 0.50
TNNI3K Q59H18 1/20 0.50
FLT1 P17948 3/20 0.49
FLT4 P35916 3/20 0.49
MET P08581 3/20 0.49
RET P07949 1/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
AURKA O14965 1/20 0.46
TEK Q02763 1/20 0.46
AURKB Q96GD4 1/20 0.46

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
SCHEMBL4548912 0.90 KDR (0.84) KDRTRPA1BRAFMAPK14TNNI3K
SCHEMBL4548939 0.89 KDR (0.77) KDRTRPA1BRAFMAPK14TNNI3K
SCHEMBL4548938 0.88 KDR (0.76) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL4548913 0.87 KDR (0.83) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL4548914 0.87 KDR (0.83) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL4812261 0.87 KDR (1.00) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL4548922 0.86 KDR (0.79) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL4548909 0.86 KDR (0.79) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL4548920 0.86 KDR (0.85) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL4548923 0.86 KDR (0.72) KDRBRAFMAPK14TNNI3KFLT1

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-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 354/4885TRPA1 3816/4885BRAF 170/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885TRPA1 3816/4885BRAF 170/4885

“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.