SCHEMBL4717243

SCHEMBL4717243

O=C(Nc1ncc(Br)s1)Nc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDR P35968 8/20 0.47
KIT P10721 4/20 0.46
FLT1 P17948 4/20 0.46
TEK Q02763 3/20 0.46
PDGFRB P09619 3/20 0.46
LCK P06239 3/20 0.46
CSF1R P07333 3/20 0.46
FGFR1 P11362 3/20 0.46
FGFR3 P22607 3/20 0.46
FLT4 P35916 3/20 0.46
FLT3 P36888 3/20 0.46
PDGFRA P16234 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR4 P22455 1/20 0.46

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
SCHEMBL12118852 0.84 KDR (0.47) CA12CA1CA2CA9MEN1
SCHEMBL4716043 0.83 CA12 (0.51) CA12CA1CA2CA9MEN1
SCHEMBL27712223 0.78 MAPK10 (0.48) NTRK1FBP1
SCHEMBL1342163 0.78 FFAR2 (0.40) MEN1KMT2AKDRTSHRCSNK1D
SCHEMBL4718424 0.78 KDR (0.49) CA12CA1CA2CA9KDR
SCHEMBL3879856 0.77 TEK (0.52) CA12CA1CA2CA9MEN1
SCHEMBL29908276 0.76 STAT3 (0.64) KDR
SCHEMBL60100 0.75 LMNA (0.58) CA12CA1CA2CA9MEN1
SCHEMBL4717259 0.73 KDR (0.49) CA12CA1CA2CA9KDR
SCHEMBL23201749 0.73 MAPK14 (0.71) MAPK13

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 4 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 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 CA12 4314/4885CA1 4480/4885CA2 1960/4885

“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.