SCHEMBL4548733

SCHEMBL4548733

CNC(=O)c1cc(Oc2ccc3c(C(=O)Nc4cc(C(F)(F)F)ccc4N4CCCCC4)cccc3c2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.57
TEK Q02763 4/20 0.54
FGFR1 P11362 5/20 0.50
SRPK1 Q96SB4 2/20 0.50
RET P07949 2/20 0.50
PLK4 O00444 1/20 0.50
AURKA O14965 1/20 0.50
MAPK13 O15264 1/20 0.50
JAK2 O60674 1/20 0.50
MAP4K4 O95819 1/20 0.50
ABL1 P00519 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
LYN P07948 1/20 0.50
ROS1 P08922 1/20 0.50
SRC P12931 1/20 0.50
RPS6KB1 P23443 1/20 0.50
EPHA2 P29317 1/20 0.50
TYK2 P29597 1/20 0.50
AXL P30530 1/20 0.50

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
SCHEMBL4548735 0.88 KDR (0.52) KDRTEKFGFR1SRPK1RET
SCHEMBL4548656 0.86 TEK (0.62) KDRTEKSRPK1RETMAPK14
SCHEMBL4548655 0.84 KDR (0.68) KDRTEKSRPK1RETLCK
SCHEMBL19888874 0.83 RAF1 (0.71) KDRTEKFGFR1SRPK1RET
SCHEMBL2747491 0.82 KDR (0.78) KDRTEKFGFR1SRPK1RET
SCHEMBL2437469 0.82 KDR (0.71) KDRSRPK1RETPLK4AURKA
SCHEMBL4548734 0.81 KDR (0.52) KDRFGFR1SRPK1RETPLK4
SCHEMBL5740338 0.81 KDR (0.52) KDRFGFR1SRPK1RETPLK4
SCHEMBL4548736 0.80 KDR (0.51) KDRFGFR1SRPK1RETPLK4
SCHEMBL13603530 0.79 DDR2 (0.66) KDRTEKFGFR1SRPK1RET

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-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
EP-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 WO 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 184/4885FGFR1 9/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885TEK 184/4885FGFR1 9/4885

“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.