SCHEMBL2779084

SCHEMBL2779084

O=C(Nc1ccc(CN2CCOCC2)c(C(F)(F)F)c1)N1CCc2cc(Oc3cc(Cl)ncn3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.52
FGFR1 P11362 3/20 0.52
SRC P12931 6/20 0.50
ABL1 P00519 5/20 0.50
HCK P08631 4/20 0.50
MKNK2 Q9HBH9 3/20 0.50
MAPK14 Q16539 3/20 0.50
MKNK1 Q9BUB5 2/20 0.50
CDK2 P24941 2/20 0.50
CDK8 P49336 2/20 0.50
BRAF P15056 2/20 0.50
AXL P30530 2/20 0.50
FLT3 P36888 2/20 0.50
MERTK Q12866 2/20 0.50
MAP3K7 O43318 2/20 0.50
FES P07332 2/20 0.50
FER P16591 2/20 0.50
MAP4K2 Q12851 2/20 0.50
DDR1 Q08345 2/20 0.50
STK25 O00506 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
SCHEMBL2777686 0.93 SRC (0.52) KDRFGFR1SRCABL1HCK
SCHEMBL2777199 0.92 SRC (0.54) KDRFGFR1SRCABL1HCK
SCHEMBL12972377 0.90 HCK (0.55) KDRFGFR1SRCABL1HCK
SCHEMBL2777242 0.89 SRC (0.50) KDRFGFR1SRCABL1HCK
SCHEMBL2776954 0.89 KDR (0.51) KDRFGFR1MAPK14BRAFMAP2K7
SCHEMBL13991086 0.85 SRC (0.67) KDRFGFR1SRCABL1HCK
SCHEMBL12972367 0.83 SRC (0.57) KDRFGFR1SRCABL1HCK
SCHEMBL12972402 0.83 HCK (0.57) KDRFGFR1SRCABL1HCK
SCHEMBL29391327 0.83 SRC (0.58) KDRFGFR1SRCABL1HCK
SCHEMBL12972358 0.83 SRC (0.58) KDRFGFR1SRCABL1HCK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855215-B2 Cyclic diaryl ureas suitable as tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-12-21 US disclosed
US-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors BOLD GUIDO 2008-02-14 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 (1 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-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors RET, ROS1, BRAF KDR 479/4885FGFR1 915/4885SRC 6/4885

“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.