SCHEMBL4717539

SCHEMBL4717539

Nc1ccc(C#Cc2cnc(N)nc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.64
MAPT P10636 2/20 0.54
ADK P55263 1/20 0.42
GRM5 P41594 4/20 0.42
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PDK1 Q15118 1/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP4K4 O95819 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
SCHEMBL4718559 0.83 APP (0.58) APPMAPTADKGRM5PIK3CA
SCHEMBL403731 0.82 GRM5 (0.61) APPMAPTADKGRM5MEN1
SCHEMBL864945 0.80 APP (1.00) APPMAPTADKPIK3CAMTOR
SCHEMBL9611200 0.80 APP (1.00) APPMAPTADKPIK3CAMTOR
SCHEMBL13499904 0.76 HSP90AA1 (0.38) APPMAPTGRM5MAP4K4
SCHEMBL3572562 0.75 MAP4K4 (0.53) GRM5PIK3CAMTORPDK1MAP4K4
SCHEMBL21903463 0.75 APP (0.88) APPMAPTPIK3CAMTORPDK1
SCHEMBL4717142 0.74 APP (0.58) APPMAPTADKPIK3CAMTOR
SCHEMBL4716651 0.74 LCK (0.46) GRM5MAP4K4
SCHEMBL1951503 0.74 APP (0.52) APPMAPTADKPIK3CAMTOR

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
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
CN-1917879-A Pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2007-02-21 CN 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 APP 3484/4885MAPT 1508/4885ADK 262/4885

“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.