SCHEMBL4717843

SCHEMBL4717843

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.43
BRD4 O60885 1/20 0.42
LCK P06239 4/20 0.41
TEK Q02763 4/20 0.41
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
KDR P35968 2/20 0.37
PAX8 Q06710 1/20 0.37
KAT8 Q9H7Z6 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
SCHEMBL4716259 0.83 LCK (0.43) GRM5LCKTEKKDR
SCHEMBL30278665 0.77 BRD4 (0.48) BRD4GABRA1GABRG2GABRB3GABRA3
SCHEMBL4717208 0.77 BRD4 (0.48) BRD4GABRA1GABRG2GABRB3GABRA3
SCHEMBL3910121 0.76 BRD4 (0.51) BRD4PAX8KAT8
SCHEMBL4717456 0.74 PDGFRB (0.43) GRM5LCKTEKKDR
SCHEMBL3581185 0.73 LCK (0.43) GRM5LCKTEKKDR
SCHEMBL1097834 0.72 PAX8 (0.44) BRD4GABRA1GABRG2GABRB3GABRA3
SCHEMBL5101060 0.71 EGLN1 (0.42) GRM5LCKTEK
SCHEMBL30504285 0.71 BRD4 (0.62) BRD4PAX8KAT8
SCHEMBL10210873 0.71 BRD4 (0.52) BRD4PAX8

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 GRM5 2481/4885BRD4 584/4885LCK 391/4885

“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.