SCHEMBL4716338

SCHEMBL4716338

Nc1ncc(C#Cc2cccc(NC(=O)Nc3ccc(F)c(F)c3)c2)cn1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.57
TEK Q02763 4/20 0.57
LCK P06239 4/20 0.57
PDGFRB P09619 4/20 0.46
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
CDK8 P49336 4/20 0.43
EPHB4 P54760 1/20 0.43
PTPN11 Q06124 1/20 0.42

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
SCHEMBL4717670 0.89 LCK (0.55) KDRTEKLCKPDGFRBMEN1
SCHEMBL4717465 0.88 LCK (0.56) KDRTEKLCKPDGFRBMEN1
SCHEMBL4717511 0.88 LCK (0.56) KDRTEKLCKMEN1KMT2A
SCHEMBL4719939 0.86 KDR (0.54) KDRTEKLCKPDGFRBMEN1
SCHEMBL4720860 0.86 KDR (0.57) KDRTEKLCKPDGFRBMEN1
SCHEMBL4719717 0.86 KDR (0.61) KDRTEKLCKPDGFRBMEN1
SCHEMBL4714699 0.85 MEN1 (0.57) KDRTEKLCKMEN1ALDH1A1
SCHEMBL4715827 0.84 MEN1 (0.60) KDRTEKLCKMEN1ALDH1A1
SCHEMBL4715363 0.84 LCK (0.67) KDRTEKLCKMEN1KMT2A
SCHEMBL4719789 0.83 LCK (0.54) KDRTEKLCKPDGFRBMEN1

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 claimed
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 KDR 5/4885TEK 2/4885LCK 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.