SCHEMBL4803605

SCHEMBL4803605

COc1nc(-c2ccccc2)c(-c2nc3c(N)ncnc3s2)n1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 7/20 0.67
FLT1 P17948 2/20 0.67
KDR P35968 2/20 0.67
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
ADORA2A P29274 9/20 0.43
ADORA1 P30542 9/20 0.43
ADORA3 P0DMS8 8/20 0.43
ADORA2B P29275 4/20 0.43
PI4KA P42356 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
LIMK1 P53667 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37

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 0.88 TEK (0.69) TEKFLT1KDRPIK3CDPIK3CA
SCHEMBL4799293 0.87 TEK (0.75) TEKFLT1KDRPIK3CDPIK3CA
SCHEMBL4800139 0.86 TEK (0.70) TEKFLT1KDRPIK3CDPIK3CA
SCHEMBL4802074 0.85 TEK (0.69) TEKFLT1KDRPIK3CDPIK3CA
SCHEMBL4801029 0.83 TEK (0.66) TEKFLT1KDRPIK3CDPIK3CA
SCHEMBL4797037 0.83 TEK (0.59) TEKFLT1KDRPIK3CDPIK3CA
SCHEMBL4801930 0.83 TEK (0.65) TEKFLT1KDRPIK3CDPIK3CA
SCHEMBL4802197 0.82 TEK (0.58) TEKFLT1KDRPIK3CDPIK3CA
SCHEMBL4801186 0.82 TEK (0.64) TEKFLT1KDRPIK3CDPIK3CA
SCHEMBL4799520 0.82 TEK (0.64) TEKFLT1KDRPIK3CDPIK3CA

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 6 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-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 US 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.