SCHEMBL564669

SCHEMBL564669

CS(=O)(=O)Cc1ccc(Oc2ccc(N)c(OC3CCOCC3)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
PIK3CA P42336 6/20 0.36
GCK P35557 2/20 0.35
KDR P35968 1/20 0.34
KAT2B Q92831 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
P2RX3 P56373 4/20 0.33
P2RX2 Q9UBL9 4/20 0.33
PDE4D Q08499 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32

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
SCHEMBL564866 0.86 BRD4 (0.36) BRD4PIK3CAGCKP2RX3P2RX2
SCHEMBL564654 0.85 PIK3CA (0.41) BRD4PIK3CAGCK
SCHEMBL563533 0.85 PIK3CA (0.38) PIK3CAGCKKDRMBOAT4P2RX3
SCHEMBL564326 0.81 EGFR (0.36) PIK3CAKDRKAT2BMBOAT4P2RX3
SCHEMBL15309094 0.80 GCK (0.35) BRD4PIK3CAGCKKDRKAT2B
SCHEMBL564631 0.80 GCK (0.35) BRD4PIK3CAGCKKAT2BP2RX3
SCHEMBL15309093 0.80 GCK (0.35) BRD4PIK3CAGCKKDRKAT2B
SCHEMBL564619 0.79 BRD4 (0.33) BRD4PIK3CAGCKPDE4D
SCHEMBL563680 0.79 GCK (0.35) BRD4PIK3CAGCKKAT2BP2RX3
SCHEMBL564387 0.78 PDE4D (0.36) PIK3CAGCKKDRKAT2BP2RX3

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 BRD4 724/4885PIK3CA 875/4885GCK 5/4885

“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.