SCHEMBL4716259

SCHEMBL4716259

CN(C(=O)O)c1cccc(C#Cc2cnc(N)nc2)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.43
TEK Q02763 4/20 0.43
GRM5 P41594 8/20 0.43
KDR P35968 2/20 0.39
FFAR1 O14842 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36

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
SCHEMBL3581185 0.84 LCK (0.43) LCKTEKGRM5KDRFFAR1
SCHEMBL4717843 0.83 GRM5 (0.43) LCKTEKGRM5KDR
SCHEMBL27672591 0.80 LCK (0.42) LCKTEKGRM5KDRFFAR1
SCHEMBL4618819 0.76 LCK (0.56) LCKTEKGRM5KDR
SCHEMBL27672622 0.75 VNN1 (0.42) LCKTEKGRM5KDRFFAR1
SCHEMBL4717456 0.75 PDGFRB (0.43) LCKTEKGRM5KDR
SCHEMBL27672607 0.74 GRM5 (0.45) LCKTEKGRM5KDRPTGDR2
SCHEMBL27672587 0.74 GRM5 (0.47) LCKTEKGRM5KDR
SCHEMBL5101060 0.74 EGLN1 (0.42) LCKTEKGRM5FFAR1EGLN1
SCHEMBL3568737 0.74 GRM5 (0.37) LCKTEKGRM5KDRPTGDR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
US-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-05-08 US disclosed
EP-1737463-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060970-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 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-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 LCK 391/4885TEK 2/4885GRM5 2481/4885

“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.