SCHEMBL564417

SCHEMBL564417

CCOC(=O)/C(C)=N/Nc1ccc(Oc2ccc(COC)nc2)cc1OC1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
PDE4D Q08499 5/20 0.35
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
P2RX3 P56373 4/20 0.34
P2RX2 Q9UBL9 4/20 0.34
AOC3 Q16853 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
GCK P35557 1/20 0.34
ACACA Q13085 1/20 0.34
ATM Q13315 2/20 0.33
KDR P35968 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
PRKDC P78527 1/20 0.33

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
SCHEMBL564372 0.93 MKNK1 (0.36) MEN1THRBKMT2AMKNK1MKNK2
SCHEMBL15309099 0.90 HRH3 (0.36) MEN1KMT2AMKNK1MKNK2PDE4D
SCHEMBL15309098 0.90 HRH3 (0.36) MEN1KMT2AMKNK1MKNK2PDE4D
SCHEMBL564386 0.89 PIK3CA (0.34) MKNK1MKNK2P2RX3P2RX2GCK
SCHEMBL1037234 0.88 MEN1 (0.42) MEN1THRBKMT2AACACAKDR
SCHEMBL12734226 0.88 MEN1 (0.42) MEN1THRBKMT2AACACAKDR
SCHEMBL1677625 0.88 MEN1 (0.42) MEN1THRBKMT2AACACAKDR
SCHEMBL564698 0.86 GPR119 (0.36) MEN1THRBKMT2AMKNK1MKNK2
SCHEMBL564699 0.86 GPR119 (0.36) MEN1THRBKMT2AMKNK1MKNK2
SCHEMBL564460 0.84 PDE4D (0.40) MKNK1MKNK2PDE4DPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 US disclosed
EP-2371826-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-10-05 EP 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-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF GPR119, GCKR, SLC5A1 MEN1 3151/4885THRB 2316/4885KMT2A 1470/4885

“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.