SCHEMBL564654

SCHEMBL564654

CS(=O)(=O)c1ccc(Oc2ccc(N)c(OC3CCOCC3)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.41
PIK3CD O00329 3/20 0.41
GPR119 Q8TDV5 2/20 0.39
GCK P35557 6/20 0.38
ATXN2 Q99700 1/20 0.35
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
LRRK2 Q5S007 1/20 0.34
BRD4 O60885 1/20 0.34
TBK1 Q9UHD2 1/20 0.34

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
SCHEMBL564669 0.85 BRD4 (0.38) PIK3CAGCKBRD4
SCHEMBL564333 0.85 GCK (0.39) PIK3CAPIK3CDGPR119GCKPIK3CB
SCHEMBL563822 0.81 GCK (0.41) PIK3CAGPR119GCKPIK3R1LRRK2
SCHEMBL563533 0.79 PIK3CA (0.38) PIK3CAGCKPIK3R1MTOR
SCHEMBL564358 0.78 GCK (0.38) PIK3CAPIK3CDGPR119GCKRAF1
SCHEMBL564250 0.77 GCK (0.36) PIK3CAPIK3CDGPR119GCKRAF1
SCHEMBL563828 0.77 GCK (0.39) PIK3CAPIK3CDGPR119GCKRAF1
SCHEMBL564326 0.75 EGFR (0.36) PIK3CAPIK3R1TBK1
SCHEMBL564699 0.75 GPR119 (0.36) PIK3CAPIK3CDGPR119GCKRAF1
SCHEMBL564698 0.75 GPR119 (0.36) PIK3CAPIK3CDGPR119GCKRAF1

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 875/4885PIK3CD 1504/4885GPR119 1/4885

“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.