SCHEMBL4639353

SCHEMBL4639353

Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1C#Cc1cnc(NCCN2CCOCC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.58
LCK P06239 5/20 0.58
SMO Q99835 1/20 0.51
KIT P10721 2/20 0.50
KDR P35968 3/20 0.49
FGFR1 P11362 1/20 0.49
RIPK1 Q13546 1/20 0.49
RIPK3 Q9Y572 1/20 0.49
SRC P12931 1/20 0.48
TYK2 P29597 1/20 0.48
SYK P43405 1/20 0.48
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48
JAK3 P52333 1/20 0.48
MAPK10 P53779 1/20 0.48
BTK Q06187 1/20 0.48
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
RAF1 P04049 1/20 0.46
BRAF P15056 1/20 0.46

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
SCHEMBL14107712 0.86 MAPK14 (0.61) MAPK14LCKKDRRIPK1RIPK3
SCHEMBL4881029 0.84 MAPK14 (0.54) MAPK14LCKSMOKDRABL1
SCHEMBL4620357 0.84 LCK (0.77) MAPK14LCKKITKDRSRC
SCHEMBL2974025 0.84 LCK (0.69) MAPK14LCKKITKDRSRC
SCHEMBL3579024 0.81 LCK (0.48) MAPK14LCKKITKDRRIPK1
SCHEMBL3577243 0.80 LCK (0.45) MAPK14LCKKITKDRFGFR1
SCHEMBL2974845 0.79 KIT (0.62) MAPK14LCKKITKDRRIPK1
SCHEMBL3579827 0.78 AURKA (0.43) MAPK14LCKRIPK1RIPK3JAK3
SCHEMBL4639012 0.77 LCK (0.50) MAPK14LCKKDRRIPK1RIPK3
SCHEMBL14107917 0.77 MAPK14 (0.56) MAPK14LCKKDRRIPK1RIPK3

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 902/4885SMO 1149/4885

“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.