SCHEMBL4801626

SCHEMBL4801626

CSc1ncnc2sc(-c3c(-c4ccccc4)ncn3CCO)nc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 7/20 0.58
FLT1 P17948 2/20 0.53
KDR P35968 2/20 0.53
CSNK1D P48730 2/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
FRK P42685 1/20 0.41
MAPK9 P45984 1/20 0.41
CSNK1A1 P48729 1/20 0.41
GSK3B P49841 1/20 0.41
PRKD2 Q9BZL6 1/20 0.41
MAP4K5 Q9Y4K4 1/20 0.41
CYP1A2 P05177 2/20 0.39
PTGS2 P35354 2/20 0.36
TSHR P16473 1/20 0.34
TNIK Q9UKE5 1/20 0.33
APAF1 O14727 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4799773 0.89 TEK (0.74) TEKFLT1KDRCSNK1DPRKD3
SCHEMBL4796320 0.85 TEK (0.72) TEKFLT1KDRTSHRTNIK
SCHEMBL4803254 0.85 TEK (0.77) TEKFLT1KDRCSNK1DPRKD3
SCHEMBL4796261 0.82 TEK (0.75) TEKFLT1KDRPTGS2TSHR
SCHEMBL4796009 0.78 TEK (0.50) TEKFLT1KDRCYP1A2ALDH1A1
SCHEMBL4796348 0.77 TEK (0.49) TEKFLT1KDRCYP1A2PTGS2
SCHEMBL4796437 0.75 TEK (0.84) TEKFLT1KDRCSNK1DPRKD3
SCHEMBL4800150 0.74 TEK (0.76) TEKFLT1KDRALDH1A1LMNA
SCHEMBL4800579 0.74 TEK (1.00) TEKFLT1KDR
SCHEMBL4798753 0.70 TEK (1.00) TEKFLT1KDRIKBKBCHUK

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.