SCHEMBL4716593

SCHEMBL4716593

CC(C)(C)c1cc(NC(=O)Nc2ccnc(C#Cc3cnc(N)nc3)c2)no1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPK14 Q16539 4/20 0.51
FLT3 P36888 9/20 0.51
CSF1R P07333 3/20 0.51
MAPK13 O15264 1/20 0.51
RIPK1 Q13546 1/20 0.50
KDR P35968 1/20 0.49
RET P07949 1/20 0.48
PDGFRB P09619 1/20 0.48
KIT P10721 1/20 0.48
PDGFRA P16234 1/20 0.48
RAF1 P04049 3/20 0.48
RIPK2 O43353 1/20 0.48

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 0.87 MAPK14 (0.50) MEN1NPC1RAB9AKMT2AMAPK14
SCHEMBL4716331 0.86 MEN1 (0.60) MEN1NPC1RAB9AKMT2AMAPK14
SCHEMBL4718593 0.84 KMT2A (0.51) MEN1NPC1RAB9AKMT2AMAPK14
SCHEMBL4718758 0.83 MAPK14 (0.54) MEN1NPC1RAB9AKMT2AMAPK14
SCHEMBL4717548 0.78 MAPK14 (0.55) MEN1NPC1RAB9AKMT2AMAPK14
SCHEMBL5252966 0.77 MAPK14 (0.47) MEN1NPC1RAB9AKMT2AMAPK14
SCHEMBL4878477 0.77 MEN1 (0.55) MEN1NPC1RAB9AKMT2AMAPK14
SCHEMBL1257464 0.77 KDR (0.69) MEN1NPC1RAB9AKMT2AMAPK14
SCHEMBL4883306 0.77 MEN1 (0.57) MEN1NPC1RAB9AKMT2AMAPK14
SCHEMBL4716313 0.76 KMT2A (0.60) MEN1NPC1RAB9AKMT2AMAPK14

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 MEN1 1088/4885NPC1 4797/4885RAB9A 4632/4885

“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.