SCHEMBL4718758

SCHEMBL4718758

CC(C)(C)c1cc(NC(=O)Nc2cncc(C#Cc3cnc(N)nc3)c2)no1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.54
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
KDR P35968 2/20 0.49
FLT3 P36888 9/20 0.48
CSF1R P07333 2/20 0.48
RAF1 P04049 4/20 0.47
RIPK2 O43353 1/20 0.47
RIPK1 Q13546 1/20 0.46
RET P07949 1/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
PDGFRA P16234 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
SCHEMBL5252966 0.93 MAPK14 (0.47) MAPK14MEN1NPC1RAB9AKMT2A
SCHEMBL4716331 0.87 MEN1 (0.60) MAPK14MEN1NPC1RAB9AKMT2A
SCHEMBL31036581 0.86 SMN1; SMN2 (0.55) MEN1NPC1RAB9AKMT2AKDR
SCHEMBL4717592 0.83 MAPK14 (0.50) MAPK14MEN1NPC1RAB9AKMT2A
SCHEMBL4716593 0.83 MEN1 (0.52) MAPK14MEN1NPC1RAB9AKMT2A
SCHEMBL4717548 0.80 MAPK14 (0.55) MAPK14MEN1NPC1RAB9AKMT2A
SCHEMBL4718593 0.80 KMT2A (0.51) MAPK14MEN1NPC1RAB9AKMT2A
SCHEMBL4875323 0.80 MEN1 (0.62) MAPK14MEN1NPC1RAB9AKMT2A
SCHEMBL1257464 0.77 KDR (0.69) MAPK14MEN1NPC1RAB9AKMT2A
SCHEMBL4883306 0.77 MEN1 (0.57) MAPK14MEN1NPC1RAB9AKMT2A

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 2983/4885MEN1 1088/4885NPC1 4797/4885

“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.