SCHEMBL4803199

SCHEMBL4803199

Cn1cnc(-c2cccc(C#N)c2)c1-c1cc2c(N)ncnc2s1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 6/20 0.74
KDR P35968 3/20 0.74
FLT1 P17948 2/20 0.74
MAP4K4 O95819 1/20 0.47
PIK3CD O00329 1/20 0.45
ABL1 P00519 1/20 0.45
EGFR P00533 1/20 0.45
HCK P08631 1/20 0.45
SRC P12931 1/20 0.45
PIK3CA P42336 1/20 0.45
MTOR P42345 1/20 0.45
PIK3CG P48736 1/20 0.45
EPHB4 P54760 1/20 0.45
PRKDC P78527 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
NSD2 O96028 1/20 0.40
ADORA1 P30542 8/20 0.39
ADORA2A P29274 8/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4466113 0.86 TEK (0.81) TEKKDRFLT1MAP4K4MEN1
SCHEMBL4802939 0.85 TEK (1.00) TEKKDRFLT1ADORA1ADORA2A
SCHEMBL4804587 0.85 TEK (0.78) TEKKDRFLT1MEN1KMT2A
SCHEMBL4798793 0.85 TEK (0.78) TEKKDRFLT1MAP4K4MEN1
SCHEMBL4804269 0.85 TEK (0.78) TEKKDRFLT1MAP4K4MEN1
SCHEMBL4481073 0.85 TEK (0.78) TEKKDRFLT1ADORA1ADORA2A
SCHEMBL5749413 0.82 TEK (0.77) TEKKDRFLT1MEN1KMT2A
SCHEMBL4802652 0.81 TEK (0.80) TEKKDRFLT1PIK3CDABL1
SCHEMBL4802343 0.81 TEK (0.83) TEKKDRFLT1PIK3CA
SCHEMBL4796130 0.79 TEK (1.00) TEKKDRFLT1MEN1KMT2A

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 2/4885KDR 3/4885FLT1 6/4885

“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.