SCHEMBL4548953

SCHEMBL4548953

CN(C)[C@H]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2cccc3cc(Oc4ncnc5[nH]ccc45)ccc23)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.52
TEK Q02763 7/20 0.51
LCK P06239 5/20 0.51
JAK2 O60674 3/20 0.47
JAK1 P23458 3/20 0.47
KIT P10721 3/20 0.47
NTRK1 P04629 1/20 0.47
INSR P06213 1/20 0.47
FES P07332 1/20 0.47
LYN P07948 1/20 0.47
FGR P09769 1/20 0.47
CSK P41240 1/20 0.47
JAK3 P52333 1/20 0.47
EPHB4 P54760 1/20 0.47
BRAF P15056 1/20 0.46
MAPK14 Q16539 1/20 0.46
TNNI3K Q59H18 1/20 0.46
FLT1 P17948 3/20 0.43
FLT4 P35916 3/20 0.43
BTK Q06187 2/20 0.43

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
SCHEMBL4548659 0.83 KDR (0.61) KDRTEKLCKJAK2JAK1
SCHEMBL4548735 0.82 KDR (0.52) KDRTEKLCKJAK2JAK1
SCHEMBL4548660 0.82 KDR (0.52) KDRTEKLCKJAK2JAK1
SCHEMBL4548922 0.79 KDR (0.79) KDRKITBRAFMAPK14TNNI3K
SCHEMBL4548923 0.78 KDR (0.72) KDRKITBRAFMAPK14TNNI3K
SCHEMBL4548954 0.76 KDR (0.57) KDRTEKLCKKITNTRK1
SCHEMBL4548927 0.75 KDR (0.65) KDRTEKKITBRAFMAPK14
SCHEMBL4548940 0.75 KDR (0.67) KDRTEKKITBRAFMAPK14
SCHEMBL2748018 0.74 KDR (0.79) KDRKITBRAFMAPK14TNNI3K
SCHEMBL4548936 0.74 KDR (0.70) KDRTEKBRAFMAPK14TNNI3K

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 184/4885LCK 1106/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885TEK 184/4885LCK 1106/4885

“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.