SCHEMBL4618708

SCHEMBL4618708

Nc1ncc(C#Cc2cccc(NC(=O)c3cc(C(F)(F)F)ccc3F)c2)cn1

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 17/20 0.85
KDR P35968 16/20 0.85
TEK Q02763 14/20 0.85
PDGFRB P09619 2/20 0.53
BTK Q06187 1/20 0.53
KIT P10721 2/20 0.52
JAK2 O60674 1/20 0.52
NTRK1 P04629 1/20 0.52
INSR P06213 1/20 0.52
FES P07332 1/20 0.52
LYN P07948 1/20 0.52
FGR P09769 1/20 0.52
JAK1 P23458 1/20 0.52
CSK P41240 1/20 0.52
JAK3 P52333 1/20 0.52
EPHB4 P54760 1/20 0.52
MAPK14 Q16539 1/20 0.52

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
SCHEMBL2974775 0.92 LCK (1.00) LCKKDRTEKBTKKIT
SCHEMBL4714839 0.85 KDR (0.65) LCKKDRTEKPDGFRBKIT
SCHEMBL14108027 0.84 LCK (0.67) LCKKDRTEKBTKKIT
SCHEMBL22384750 0.83 KDR (0.65) LCKKDRTEKPDGFRBBTK
SCHEMBL4715351 0.83 LCK (0.78) LCKKDRTEKKITJAK3
SCHEMBL13202026 0.82 LCK (0.80) LCKKDRTEKBTKKIT
SCHEMBL22683128 0.82 LCK (1.00) LCKKDRTEKBTKKIT
SCHEMBL4715363 0.82 LCK (0.67) LCKKDRTEKMAPK14
SCHEMBL13349323 0.80 LCK (0.78) LCKKDRTEKBTKKIT
SCHEMBL4041879 0.78 LCK (0.71) LCKKDRTEKKITJAK3

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
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
CN-101198602-A Saminopyrimidine derivates with tIE2 inhibiting activity ASTRAZENECA AB (SE) 2008-06-11 CN disclosed
EP-1893605-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006103449-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2006-10-05 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-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity TIE1, TEK, FLT1 LCK 902/4885KDR 4/4885TEK 2/4885

“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.