SCHEMBL563533

SCHEMBL563533

COCc1ccc(Oc2ccc(N)c(OC3CCOCC3)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.38
MBOAT4 Q96T53 1/20 0.36
PDE4D Q08499 6/20 0.35
PDE4A P27815 4/20 0.35
PDE4B Q07343 4/20 0.35
PDE4C Q08493 4/20 0.35
ATM Q13315 4/20 0.35
KCNH2 Q12809 2/20 0.35
MTOR P42345 1/20 0.35
PRKDC P78527 1/20 0.35
AOC3 Q16853 1/20 0.35
GAK O14976 1/20 0.34
PIK3R1 P27986 1/20 0.34
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33
GCK P35557 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 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
SCHEMBL564326 0.91 EGFR (0.36) PIK3CAMBOAT4PDE4DPDE4APDE4B
SCHEMBL564669 0.85 BRD4 (0.38) PIK3CAMBOAT4PDE4DPDE4APDE4B
SCHEMBL564734 0.84 ALDH1A1 (0.36) PIK3CAPDE4DPDE4APDE4BPDE4C
SCHEMBL1039811 0.81 ALDH1A1 (0.50) PIK3CAMBOAT4
SCHEMBL564654 0.79 PIK3CA (0.41) PIK3CAMTORPIK3R1GCK
SCHEMBL15309098 0.77 HRH3 (0.36) PIK3CAPDE4DPDE4APDE4BPDE4C
SCHEMBL564288 0.77 PDE4D (0.34) PIK3CAMBOAT4PDE4DPDE4APDE4B
SCHEMBL564673 0.77 PDE4D (0.38) PIK3CAPDE4DPDE4APDE4BPDE4C
SCHEMBL15309099 0.77 HRH3 (0.36) PIK3CAPDE4DPDE4APDE4BPDE4C
SCHEMBL1678105 0.76 ALDH1A1 (0.38) PIK3CAP2RX3P2RX2

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
US-8557805-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-15 US disclosed
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 PIK3CA 875/4885MBOAT4 233/4885PDE4D 1302/4885

“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.