SCHEMBL11033301

SCHEMBL11033301

O=C1NCc2c(Nc3cccc(CN4CCOCC4)c3)ccnc2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.47
LCK P06239 1/20 0.47
YES1 P07947 1/20 0.47
LYN P07948 1/20 0.47
HCK P08631 1/20 0.47
FGR P09769 1/20 0.47
SRC P12931 1/20 0.47
EPHA3 P29320 1/20 0.47
FLT3 P36888 1/20 0.47
SYK P43405 1/20 0.47
BTK Q06187 1/20 0.47
DDR1 Q08345 1/20 0.47
DDR2 Q16832 1/20 0.47
JAK2 O60674 2/20 0.46
JAK3 P52333 2/20 0.46
PLK4 O00444 1/20 0.46
CSF1R P07333 2/20 0.45
TYK2 P29597 2/20 0.45
TBK1 Q9UHD2 2/20 0.45
ULK2 Q8IYT8 1/20 0.45

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
SCHEMBL11028632 0.91 JAK2 (0.44) KDRLCKYES1LYNHCK
SCHEMBL1161133 0.83 JAK2 (0.46) KDRLCKYES1LYNHCK
SCHEMBL11030401 0.77 SLC2A1 (0.48) JAK2PLK4TYK2
SCHEMBL1160954 0.76 ERBB2 (0.49) KDRABL1BCR
SCHEMBL11026897 0.76 PTGS1 (0.41) KDRFLT3JAK2JAK3
SCHEMBL15195873 0.76 PTGS1 (0.42) KDRLCKFLT3SYKPLK4
SCHEMBL11027540 0.74 JAK2 (0.43) KDRLCKYES1LYNHCK
SCHEMBL4875509 0.73 PLK4 (0.64) KDRLCKYES1LYNHCK
SCHEMBL11026739 0.71 BRD4 (0.41) KDRSRCPDGFRBABL1BCR
SCHEMBL28153587 0.69 PLK4 (0.56) KDRJAK2JAK3PLK4CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569295-B2 Bicyclic urea compounds MERCK PATENT GMBH (DE) 2013-10-29 US disclosed
US-8569295-B2 Bicyclic urea compounds MERCK PATENT GMBH (DE) 2013-10-29 US disclosed
EP-2461869-B1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2013-08-21 EP disclosed
US-20120190654-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2012-07-26 US disclosed
US-20120190654-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2012-07-26 US disclosed
WO-2011017142-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2011-02-10 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 (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-20120190654-A1 NOVEL BICYCLIC UREA COMPOUNDS CCNC, CCNI, CCNA1 KDR 2655/4885LCK 2691/4885YES1 1619/4885

“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.