SCHEMBL4620357

SCHEMBL4620357

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C#Cc1cnc(NCCCN2CCOCC2)nc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.77
MAPK14 Q16539 4/20 0.77
KDR P35968 5/20 0.56
JAK3 P52333 2/20 0.56
BTK Q06187 2/20 0.56
SRC P12931 1/20 0.56
TYK2 P29597 1/20 0.56
SYK P43405 1/20 0.56
MAPK8 P45983 1/20 0.56
MAPK9 P45984 1/20 0.56
MAPK10 P53779 1/20 0.56
TEK Q02763 2/20 0.54
KIT P10721 2/20 0.54
BRAF P15056 7/20 0.53
RAF1 P04049 5/20 0.53
DDR1 Q08345 2/20 0.53
DDR2 Q16832 2/20 0.53
TRPV4 Q9HBA0 1/20 0.51

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
SCHEMBL2974025 0.90 LCK (0.69) LCKMAPK14KDRJAK3BTK
SCHEMBL2949721 0.87 LCK (1.00) LCKMAPK14KDRJAK3BTK
SCHEMBL14107966 0.87 LCK (0.81) LCKMAPK14KDRJAK3BTK
SCHEMBL4639353 0.84 MAPK14 (0.58) LCKMAPK14KDRJAK3BTK
SCHEMBL2951415 0.82 LCK (1.00) LCKMAPK14KDRJAK3BTK
SCHEMBL18164375 0.82 LCK (0.77) LCKMAPK14KDRJAK3BTK
SCHEMBL14070183 0.80 LCK (0.68) LCKMAPK14KDRJAK3BTK
SCHEMBL13878721 0.79 LCK (0.69) LCKMAPK14KDRJAK3BTK
SCHEMBL2976092 0.78 LCK (0.86) LCKMAPK14KDRJAK3BTK
SCHEMBL13219903 0.78 LCK (0.81) LCKMAPK14KDRJAK3BTK

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 LCK 902/4885MAPK14 3097/4885KDR 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.