SCHEMBL4800643

SCHEMBL4800643

Cn1c(-c2ccccc2)nc(-c2ccccc2)c1-c1nc2c(S(C)(=O)=O)ncnc2s1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TEK Q02763 7/20 0.48
FLT1 P17948 2/20 0.48
KDR P35968 2/20 0.48
PTGER1 P34995 1/20 0.39
PTGS2 P35354 8/20 0.38
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
PIP4K2A P48426 1/20 0.34
PIP4K2C Q8TBX8 1/20 0.34

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
SCHEMBL4797040 0.88 TEK (0.47) TEKFLT1KDRPTGS2PIP4K2A
SCHEMBL4796009 0.83 TEK (0.50) TEKFLT1KDRPTGER1ADORA3
SCHEMBL4800139 0.82 TEK (0.70) TEKFLT1KDRPTGER1ADORA3
SCHEMBL4801186 0.78 TEK (0.64) TEKFLT1KDRPTGER1ADORA3
SCHEMBL4799520 0.76 TEK (0.64) TEKFLT1KDRADORA3ADORA2A
SCHEMBL4799193 0.74 TEK (0.61) TEKFLT1KDRPTGER1ADORA3
SCHEMBL4800495 0.73 TEK (0.45) TEKFLT1KDRPTGER1ADORA3
SCHEMBL4799293 0.72 TEK (0.75) TEKFLT1KDRADORA3ADORA2A
SCHEMBL4796348 0.71 TEK (0.49) TEKFLT1KDRPTGS2PIP4K2C
SCHEMBL4805405 0.70 TEK (0.69) TEKFLT1KDRADORA3ADORA2A

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 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
EP-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 EP disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 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-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.