SCHEMBL4717548

SCHEMBL4717548

CC(C)(C)c1cc(NC(=O)Nc2ncc(C#Cc3cnc(N)nc3)s2)no1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.55
MAPK13 O15264 2/20 0.55
FLT3 P36888 5/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.46
AURKA O14965 1/20 0.46
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDR P35968 2/20 0.44
CSF1R P07333 1/20 0.43
ATM Q13315 1/20 0.42
RIPK1 Q13546 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
SCHEMBL4717592 0.82 MAPK14 (0.50) MAPK14MAPK13FLT3RAB9AMEN1
SCHEMBL4638304 0.81 SMN1; SMN2 (0.44) MAPK14MAPK13FLT3RAB9AMEN1
SCHEMBL4718758 0.80 MAPK14 (0.54) MAPK14FLT3RAB9AMEN1KMT2A
SCHEMBL4881650 0.80 MEN1 (0.53) MAPK14MAPK13FLT3RAB9AMEN1
SCHEMBL4716331 0.80 MEN1 (0.60) MAPK14MAPK13FLT3RAB9AMEN1
SCHEMBL4718593 0.80 KMT2A (0.51) MAPK14MAPK13FLT3RAB9AMEN1
SCHEMBL4716593 0.78 MEN1 (0.52) MAPK14MAPK13FLT3RAB9AMEN1
SCHEMBL4716046 0.78 MAPK14 (0.55) MAPK14MAPK13MAPT
SCHEMBL4714451 0.77 MAPK14 (0.62) MAPK14MAPK13FLT3RAB9AMEN1
SCHEMBL5252966 0.75 MAPK14 (0.47) MAPK14MAPK13FLT3RAB9AMEN1

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 3 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

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 2414/4885FLT3 14/4885

“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.