SCHEMBL564372

SCHEMBL564372

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
P2RX3 P56373 6/20 0.34
P2RX2 Q9UBL9 6/20 0.34
LRRK2 Q5S007 1/20 0.34
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE4D Q08499 4/20 0.33
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
HRH3 Q9Y5N1 1/20 0.32
ACACA Q13085 1/20 0.32
KAT2B Q92831 1/20 0.32
BTK Q06187 1/20 0.32
KDR P35968 1/20 0.32
EGFR P00533 1/20 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
SCHEMBL564417 0.93 MEN1 (0.35) MKNK1MKNK2P2RX3P2RX2LRRK2
SCHEMBL15309159 0.91 MKNK1 (0.36) MKNK1MKNK2P2RX3P2RX2LRRK2
SCHEMBL15309160 0.91 MKNK1 (0.36) MKNK1MKNK2P2RX3P2RX2LRRK2
SCHEMBL564386 0.86 PIK3CA (0.34) MKNK1MKNK2P2RX3P2RX2KAT2B
SCHEMBL564373 0.85 PDE4D (0.38) MKNK1MKNK2P2RX3P2RX2LRRK2
SCHEMBL15309099 0.84 HRH3 (0.36) MKNK1MKNK2P2RX3P2RX2LRRK2
SCHEMBL15309098 0.84 HRH3 (0.36) MKNK1MKNK2P2RX3P2RX2LRRK2
SCHEMBL564699 0.83 GPR119 (0.36) MKNK1MKNK2MEN1THRBKMT2A
SCHEMBL564698 0.83 GPR119 (0.36) MKNK1MKNK2MEN1THRBKMT2A
SCHEMBL1037234 0.82 MEN1 (0.42) MEN1THRBKMT2AACACAKDR

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 MKNK1 381/4885MKNK2 459/4885P2RX3 2661/4885

“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.