SCHEMBL4618002

SCHEMBL4618002

Nc1ncc(C#Cc2csc(C(=O)Nc3cc(C(F)(F)F)ccc3F)c2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 17/20 0.54
TEK Q02763 16/20 0.54
KDR P35968 14/20 0.54
JAK2 O60674 3/20 0.47
NTRK1 P04629 3/20 0.47
INSR P06213 3/20 0.47
LYN P07948 3/20 0.47
KIT P10721 3/20 0.47
FES P07332 2/20 0.47
JAK3 P52333 2/20 0.47
FGR P09769 1/20 0.47
JAK1 P23458 1/20 0.47
CSK P41240 1/20 0.47
EPHB4 P54760 1/20 0.47
TMPRSS4 Q9NRS4 1/20 0.45
PLK4 O00444 2/20 0.44
AURKA O14965 2/20 0.44
MAPK13 O15264 2/20 0.44
PDPK1 O15530 2/20 0.44
CHEK2 O96017 2/20 0.44

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
SCHEMBL4639658 0.87 LCK (0.44) LCKTEKKDRJAK2NTRK1
SCHEMBL4638738 0.85 TEK (0.54) LCKTEKKDRJAK2NTRK1
SCHEMBL14107763 0.85 LCK (0.46) LCKTEKKDRJAK2NTRK1
SCHEMBL2973262 0.81 TEK (0.72) LCKTEKKDRJAK2NTRK1
SCHEMBL2962002 0.78 LCK (0.63) LCKTEKKDRJAK2NTRK1
SCHEMBL2962918 0.78 TEK (0.73) LCKTEKKDRKITABL1
SCHEMBL4717259 0.77 KDR (0.49) LCKTEKKDRJAK2NTRK1
SCHEMBL4718424 0.77 KDR (0.49) LCKTEKKDRJAK2NTRK1
SCHEMBL14108021 0.76 TP53 (0.47) LCKTEKKDRJAK2NTRK1
SCHEMBL4714839 0.76 KDR (0.65) LCKTEKKDRKITFLT3

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 902/4885TEK 2/4885KDR 4/4885

“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.