SCHEMBL4801906

SCHEMBL4801906

Nc1ncnc2sc(-c3c(-c4ccccc4)ncn3CCNC(=O)O)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 9/20 0.64
FLT1 P17948 2/20 0.64
KDR P35968 2/20 0.64
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
KDM4E B2RXH2 5/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
LMNA P02545 1/20 0.39
RCE1 Q9Y256 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 2/20 0.39

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
SCHEMBL4806216 0.94 TEK (0.61) TEKFLT1KDRALDH1A1SMN1; SMN2
SCHEMBL4803457 0.87 TEK (0.67) TEKFLT1KDRALDH1A1SMN1; SMN2
SCHEMBL4797758 0.87 TEK (0.55) TEKFLT1KDRALDH1A1SMN1; SMN2
SCHEMBL4801078 0.86 TEK (0.71) TEKFLT1KDRALDH1A1SMN1; SMN2
SCHEMBL4798686 0.85 TEK (0.72) TEKFLT1KDRALDH1A1SMN1; SMN2
SCHEMBL4796280 0.84 TEK (0.69) TEKFLT1KDRALDH1A1SMN1; SMN2
SCHEMBL27637074 0.84 TEK (0.63) TEKFLT1KDRALDH1A1POLB
SCHEMBL4801446 0.83 TEK (0.62) TEKFLT1KDRALDH1A1SMN1; SMN2
SCHEMBL4802505 0.83 TEK (0.51) TEKFLT1KDRALDH1A1SMN1; SMN2
SCHEMBL4795866 0.83 TEK (0.61) TEKFLT1KDRALDH1A1SMN1; SMN2

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
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US claimed
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP claimed
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.