SCHEMBL4639236

SCHEMBL4639236

CC(C#N)c1cccc(C(=O)Nc2cccc(C#Cc3cnc(NCCCN4CCOCC4)nc3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.52
LCK P06239 5/20 0.52
KDR P35968 5/20 0.46
GCK P35557 1/20 0.44
CSNK2A1 P68400 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
BRAF P15056 4/20 0.43
ROCK2 O75116 1/20 0.43
ACACB O00763 1/20 0.42
RIPK1 Q13546 1/20 0.42
RIPK3 Q9Y572 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
JAK3 P52333 2/20 0.42
SRC P12931 1/20 0.41
TYK2 P29597 1/20 0.41
SYK P43405 1/20 0.41
MAPK8 P45983 1/20 0.41

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
SCHEMBL14108034 0.90 MAPK14 (0.54) MAPK14LCKKDRMEN1LMNA
SCHEMBL4639012 0.85 LCK (0.50) MAPK14LCKKDRGCKBRAF
SCHEMBL4881029 0.85 MAPK14 (0.54) MAPK14LCKKDRCSNK2A1MEN1
SCHEMBL4618197 0.77 LCK (0.60) LCKKDRBRAFROCK2
SCHEMBL4714363 0.76 FLT3 (0.48) MAPK14LCKKDRCSNK2A1BRAF
SCHEMBL4620357 0.75 LCK (0.77) MAPK14LCKKDRBRAFTRPV4
SCHEMBL4716479 0.75 BRAF (0.54) KDRBRAF
SCHEMBL4718731 0.75 MAPK14 (0.49) MAPK14LCKSRCSYKMAPK9
SCHEMBL4717256 0.74 FLT3 (0.47) MAPK14LCKCSNK2A1
SCHEMBL4717742 0.74 LCK (0.43) MAPK14LCKKDRCSNK2A1BRAF

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
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
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 MAPK14 3097/4885LCK 902/4885KDR 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.