SCHEMBL10150879

SCHEMBL10150879

Cc1ccc(CON=C2/C=C/CC/C=C/CC(C)OC(=O)c3c(C)cc(C)cc3C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 3/20 0.38
HSP90AB1 P08238 1/20 0.38
MAOA P21397 6/20 0.34
MAOB P27338 2/20 0.34
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33
FLT3 P36888 6/20 0.32
KIT P10721 4/20 0.32
PDGFRA P16234 4/20 0.32
FLT4 P35916 4/20 0.32
KDR P35968 4/20 0.32
FLT1 P17948 3/20 0.32
PDGFRB P09619 3/20 0.32
MAP2K1 Q02750 3/20 0.32
STAT3 P40763 1/20 0.32
MAP2K2 P36507 1/20 0.32
ALK Q9UM73 1/20 0.32
CCNA2 P20248 4/20 0.31
CDK2 P24941 4/20 0.31
CCNA1 P78396 4/20 0.31

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
SCHEMBL10150196 0.94 MKNK2 (0.38) MKNK2HSP90AB1MAOAMAOBF13A1
SCHEMBL10150855 0.94 MKNK2 (0.38) MKNK2HSP90AB1MAOAMAOBF13A1
SCHEMBL10150253 0.91 MAOA (0.35) MKNK2HSP90AB1MAOAMAOBF13A1
SCHEMBL10150233 0.88 HSP90AB1 (0.40) MKNK2HSP90AB1MAOAMAOBF13A1
SCHEMBL10150880 0.88 MKNK2 (0.49) MKNK2HSP90AB1F13A1TGM2FLT3
SCHEMBL13049834 0.85 HSP90AB1 (0.41) MKNK2HSP90AB1MAOAMAOBF13A1
SCHEMBL10150295 0.85
SCHEMBL10150290 0.85
SCHEMBL10150229 0.85 HSP90AB1 (0.42) MKNK2HSP90AB1MAOAF13A1TGM2
SCHEMBL10150240 0.84 HSP90AB1 (0.38) MKNK2HSP90AB1MAOAF13A1TGM2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077775-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 LE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-29 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-20120077775-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 HSP90AB1, HSP90AA1, HSP90AB2P MKNK2 12/4885HSP90AB1 1/4885MAOA 3967/4885

“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.