SCHEMBL4718752

SCHEMBL4718752

Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cccc(C#Cc2cnc(NCCN3CCOCC3)nc2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.51
MAPK13 O15264 4/20 0.48
MAPK12 P53778 4/20 0.48
MAPK11 Q15759 3/20 0.48
MAPK9 P45984 1/20 0.48
LCK P06239 2/20 0.47
SRC P12931 1/20 0.46
SYK P43405 1/20 0.46
GSK3A P49840 1/20 0.46
DDR2 Q16832 2/20 0.44
ABL1 P00519 1/20 0.44
KIT P10721 1/20 0.44
GCK P35557 1/20 0.43
RAF1 P04049 2/20 0.43
BRAF P15056 2/20 0.43
TNF P01375 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL4718731 0.95 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL4721112 0.88 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL4715838 0.88 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4718921 0.87 GCK (0.43) MAPK14MAPK13MAPK9LCKSRC
SCHEMBL4718949 0.85 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4716379 0.84 SLC2A1 (0.55) KITRAF1BRAF
SCHEMBL4717470 0.84 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4714370 0.84 FLT3 (0.45) MAPK14MAPK13MAPK9LCKSRC
SCHEMBL4717742 0.82 LCK (0.43) MAPK14LCKSRCBRAF
SCHEMBL4718541 0.82 KDR (0.49) MAPK14MAPK9LCKSRCSYK

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
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP claimed
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
US-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-05-08 US disclosed
EP-1737463-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060970-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 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-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 MAPK14 2983/4885MAPK13 2414/4885MAPK12 1933/4885

“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.