SCHEMBL4718756

SCHEMBL4718756

CN(C(=O)Nc1ccc(C#Cc2cnc(N)nc2)cc1)c1cc(C(C)(C)C)on1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.39
KDR P35968 2/20 0.39
FLT3 P36888 7/20 0.39
MAPK14 Q16539 2/20 0.39
CSF1R P07333 3/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
RIPK1 Q13546 2/20 0.37
RIPK2 O43353 1/20 0.37
RET P07949 2/20 0.37
PDGFRB P09619 2/20 0.37
KIT P10721 2/20 0.37
PDGFRA P16234 2/20 0.37
LCK P06239 1/20 0.37

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
SCHEMBL4717251 0.89 LCK (0.46) RAF1KDRMEN1NPC1RAB9A
SCHEMBL4715020 0.80 GRM5 (0.39) RAF1FLT3MAPK14CSF1RMEN1
SCHEMBL4717456 0.77 PDGFRB (0.43) RAF1KDRMAPK14MAPK13MAPK12
SCHEMBL2945406 0.76 RAF1 (0.63) RAF1KDRMAPK14MAPK13MAPK12
SCHEMBL4718430 0.74 LCK (0.41) RAF1KDRFLT3CSF1RMEN1
SCHEMBL4716331 0.71 MEN1 (0.60) RAF1KDRFLT3MAPK14CSF1R
SCHEMBL4718593 0.71 KMT2A (0.51) RAF1KDRFLT3MAPK14CSF1R
SCHEMBL4717232 0.70 SLC2A1 (0.46) RAF1KDRFLT3MAPK14LCK
SCHEMBL11226939 0.70 EGFR (0.43) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4717609 0.70 BRAF (0.41) RAF1MAPK14LCK

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 RAF1 2084/4885KDR 5/4885FLT3 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.