SCHEMBL2747463

SCHEMBL2747463

CNC(=O)c1cc(Oc2ccc3c(NC(=O)c4cccc(F)c4)cccc3c2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.57
BRAF P15056 7/20 0.49
RAF1 P04049 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MET P08581 1/20 0.49
SIRT2 Q8IXJ6 2/20 0.48
SIRT1 Q96EB6 2/20 0.48
SIRT3 Q9NTG7 2/20 0.48
PLK4 O00444 1/20 0.47
AURKA O14965 1/20 0.47
MAPK13 O15264 1/20 0.47
JAK2 O60674 1/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
LYN P07948 1/20 0.47
RET P07949 1/20 0.47
ROS1 P08922 1/20 0.47

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
SCHEMBL2747211 0.91 KDR (0.58) KDRBRAFRAF1METSIRT2
SCHEMBL2746237 0.90 KDR (0.60) KDRBRAFRAF1METSIRT2
SCHEMBL4548767 0.90 KDR (0.58) KDRBRAFRAF1SIRT2SIRT1
SCHEMBL2748022 0.89 KDR (0.64) KDRBRAFRAF1SIRT2SIRT1
SCHEMBL4548754 0.89 KDR (0.57) KDRBRAFSIRT2SIRT1SIRT3
SCHEMBL2748155 0.88 KDR (0.74) KDRBRAFRAF1PLK4AURKA
SCHEMBL4548758 0.87 KDR (0.59) KDRBRAFRAF1SIRT2SIRT1
SCHEMBL4548769 0.87 KDR (0.57) KDRBRAFSIRT2SIRT1SIRT3
SCHEMBL4548757 0.87 KDR (0.57) KDRBRAFSIRT2SIRT1SIRT3
SCHEMBL2747087 0.87 SIRT2 (0.62) KDRBRAFRAF1SIRT2SIRT1

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 10 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-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-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 354/4885BRAF 170/4885RAF1 1183/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885BRAF 170/4885RAF1 1183/4885

“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.