SCHEMBL4802477

SCHEMBL4802477

COc1ncnc2sc(-c3c(-c4ccccc4)nc(Br)n3C)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 7/20 0.50
FLT1 P17948 2/20 0.50
KDR P35968 2/20 0.50
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.44
PRNP P04156 1/20 0.34
CYP1A2 P05177 2/20 0.34
HSD17B10 Q99714 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
LMNA P02545 2/20 0.32
GAA P10253 2/20 0.32

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
SCHEMBL4805405 0.85 TEK (0.69) TEKFLT1KDRADORA3ADORA2A
SCHEMBL4796348 0.83 TEK (0.49) TEKFLT1KDRALDH1A1SMN1; SMN2
SCHEMBL4798366 0.82 TEK (0.73) TEKFLT1KDRALDH1A1SMN1; SMN2
SCHEMBL4797040 0.82 TEK (0.47) TEKFLT1KDRIKBKBCHUK
SCHEMBL4800495 0.81 TEK (0.45) TEKFLT1KDRALDH1A1SMN1; SMN2
SCHEMBL4803605 0.78 TEK (0.67) TEKFLT1KDRALDH1A1SMN1; SMN2
SCHEMBL4799293 0.76 TEK (0.75) TEKFLT1KDRADORA3ADORA2A
SCHEMBL4800139 0.73 TEK (0.70) TEKFLT1KDRADORA3ADORA2A
SCHEMBL4802074 0.72 TEK (0.69) TEKFLT1KDRADORA3ADORA2A
SCHEMBL4796009 0.71 TEK (0.50) TEKFLT1KDRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US disclosed
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP disclosed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 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-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity TIE1, TEK, KDR TEK 2/4885FLT1 6/4885KDR 3/4885

“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.