SCHEMBL4717259

SCHEMBL4717259

Nc1ncc(C#Cc2nnc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)s2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.49
LCK P06239 15/20 0.49
TEK Q02763 15/20 0.49
KIT P10721 4/20 0.46
PDGFRB P09619 4/20 0.46
FLT1 P17948 3/20 0.46
CSF1R P07333 2/20 0.46
FGFR1 P11362 2/20 0.46
FGFR3 P22607 2/20 0.46
FLT4 P35916 2/20 0.46
FLT3 P36888 2/20 0.46
PDGFRA P16234 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR4 P22455 1/20 0.46
JAK2 O60674 2/20 0.45
NTRK1 P04629 2/20 0.45
INSR P06213 2/20 0.45
FES P07332 2/20 0.45
LYN P07948 2/20 0.45
PLK4 O00444 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
SCHEMBL4718424 0.86 KDR (0.49) KDRLCKTEKKITPDGFRB
SCHEMBL4714839 0.81 KDR (0.65) KDRLCKTEKKITPDGFRB
SCHEMBL4638738 0.78 TEK (0.54) KDRLCKTEKKITPDGFRB
SCHEMBL4716043 0.78 CA12 (0.51) KDRLCKTEKKITPDGFRB
SCHEMBL4618002 0.77 LCK (0.54) KDRLCKTEKKITFLT1
SCHEMBL4718442 0.74 NPC1 (0.53) AURKAABL1PIM1GSK3B
SCHEMBL4717243 0.73 CA12 (0.49) KDRLCKTEKKITPDGFRB
SCHEMBL2962002 0.73 LCK (0.63) KDRLCKTEKKITCSF1R
SCHEMBL2962918 0.73 TEK (0.73) KDRLCKTEKKITCSF1R
SCHEMBL4718055 0.73 KDR (0.61) KDRLCKTEKKITPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP claimed
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
US-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-05-08 US disclosed
EP-1737463-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060970-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 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-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 KDR 5/4885LCK 391/4885TEK 2/4885

“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.