SCHEMBL4548935

SCHEMBL4548935

O=C(Nc1nccs1)c1cccc2cc(Oc3ncnc4[nH]ccc34)ccc12

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.69
AURKA O14965 3/20 0.47
MET P08581 3/20 0.47
TEK Q02763 3/20 0.47
AURKB Q96GD4 3/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
TNNI3K Q59H18 2/20 0.45
BRAF P15056 1/20 0.45
MAPK14 Q16539 1/20 0.45
TRPA1 O75762 2/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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 0.84 KDR (0.84) KDRTNNI3KBRAFMAPK14TRPA1
SCHEMBL4548929 0.83 KDR (0.73) KDRAURKAMETTEKAURKB
SCHEMBL4548942 0.82 KDR (0.75) KDRTNNI3KBRAFMAPK14FLT1
SCHEMBL4548913 0.82 KDR (0.83) KDRAURKAMETTEKAURKB
SCHEMBL4548914 0.82 KDR (0.83) KDRAURKAMETTEKAURKB
SCHEMBL4812261 0.82 KDR (1.00) KDRAURKAMETTEKAURKB
SCHEMBL4548941 0.82 KDR (0.77) KDRAURKAMETTEKAURKB
SCHEMBL4548939 0.82 KDR (0.77) KDRAURKAMETTEKAURKB
SCHEMBL2747018 0.82 KDR (0.71) KDRAURKAMETTEKAURKB
SCHEMBL4548932 0.81 KDR (0.70) KDRAURKAMETTEKAURKB

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 354/4885AURKA 4148/4885MET 3/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885AURKA 4148/4885MET 3/4885

“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.