SCHEMBL4548732

SCHEMBL4548732

CNC(=O)c1cc(Oc2ccc3c(C(=O)Nc4cc(C(F)(F)F)ccc4N(C)CCCN(C)C)cccc3c2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.55
TEK Q02763 4/20 0.55
RET P07949 4/20 0.53
LCK P06239 3/20 0.53
PDGFRB P09619 3/20 0.53
AURKA O14965 2/20 0.53
ABL1 P00519 2/20 0.53
LYN P07948 2/20 0.53
SRC P12931 2/20 0.53
SYK P43405 2/20 0.53
MAPK14 Q16539 2/20 0.53
EGFR P00533 1/20 0.53
NTRK1 P04629 1/20 0.53
INSR P06213 1/20 0.53
FES P07332 1/20 0.53
CSF1R P07333 1/20 0.53
IGF1R P08069 1/20 0.53
MET P08581 1/20 0.53
FGR P09769 1/20 0.53
AKT1 P31749 1/20 0.53

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
SCHEMBL4548658 0.86 KDR (0.63) KDRTEKRETLCKPDGFRB
SCHEMBL4548657 0.86 KDR (0.65) KDRTEKRETLCKPDGFRB
SCHEMBL2748320 0.83 KDR (0.68) KDRTEKLCKAURKAMET
SCHEMBL4548734 0.82 KDR (0.52) KDRRETLCKPDGFRBAURKA
SCHEMBL2747491 0.81 KDR (0.78) KDRTEKRETLCKPDGFRB
SCHEMBL2437469 0.80 KDR (0.71) KDRRETLCKPDGFRBAURKA
SCHEMBL4548733 0.79 KDR (0.57) KDRTEKRETLCKPDGFRB
SCHEMBL4548735 0.78 KDR (0.52) KDRTEKRETLCKAURKA
SCHEMBL2434005 0.78 KDR (0.61) KDRRETLCKPDGFRBAURKA
SCHEMBL13603631 0.77 DDR2 (0.63) KDRTEKRETLCKPDGFRB

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 354/4885TEK 184/4885RET 138/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885TEK 184/4885RET 138/4885

“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.