SCHEMBL4717142

SCHEMBL4717142

Nc1ccc(C#Cc2c(N)ncnc2N)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.58
ADK P55263 10/20 0.51
MAPT P10636 1/20 0.50
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
PDK1 Q15118 1/20 0.38
RET P07949 2/20 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
SCHEMBL3583467 0.77 ABL1 (0.51) ADKPIK3CAMTORPDK1RET
SCHEMBL9611200 0.76 APP (1.00) APPADKMAPTPIK3CAMTOR
SCHEMBL864945 0.76 APP (1.00) APPADKMAPTPIK3CAMTOR
SCHEMBL4717817 0.75 RAB9A (0.45) ADKMAPTRET
SCHEMBL4717539 0.74 APP (0.64) APPADKMAPTPIK3CAMTOR
SCHEMBL17262986 0.72 ADK (0.52) APPADKMAPTPIK3CARET
SCHEMBL21903463 0.71 APP (0.88) APPMAPTPIK3CAMTORPDK1
SCHEMBL4718135 0.71 ADK (0.48) ADKRET
SCHEMBL5252136 0.71 ABL1 (0.46) ADKPIK3CAMTORPDK1RET
SCHEMBL4718559 0.71 APP (0.58) APPADKMAPTPIK3CAMTOR

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-1737462-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
US-20080027076-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-01-31 US disclosed
EP-1737462-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060969-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-20080027076-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 APP 3553/4885ADK 252/4885MAPT 1551/4885

“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.