SCHEMBL2592903

SCHEMBL2592903

CS(=O)(=O)c1ccc(-c2ccc3nc(OC4CCNCC4)sc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.42
PIK3CB P42338 2/20 0.42
PI4KA P42356 2/20 0.42
PIK3CG P48736 2/20 0.42
PI4KB Q9UBF8 2/20 0.42
PIK3CA P42336 1/20 0.42
CLK1 P49759 2/20 0.42
PTGS1 P23219 5/20 0.40
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
AKT1 P31749 1/20 0.39
ROCK1 Q13464 1/20 0.39
PIP5K1C O60331 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SCD O00767 2/20 0.37
PLAT P00750 1/20 0.37
ACACB O00763 1/20 0.37
RORC P51449 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL14729103 0.85 PIK3CD (0.41) PIK3CDPIK3CBPI4KAPIK3CGPI4KB
SCHEMBL14729098 0.83 PIK3CD (0.40) PIK3CDPIK3CBPI4KAPIK3CGPI4KB
SCHEMBL14729100 0.82 IKBKB (0.44) PIK3CDPIK3CBPI4KAPIK3CGPI4KB
SCHEMBL2591259 0.82 GPR119 (0.43) PIK3CDPIK3CBPI4KAPIK3CGPI4KB
SCHEMBL14729093 0.81 GPR119 (0.47) CLK1ALDH1A1
SCHEMBL14729195 0.81 GPR119 (0.41) PIK3CDPIK3CBPI4KAPIK3CGPI4KB
SCHEMBL14729107 0.81 HRH3 (0.39) PIK3CDPIK3CBPI4KAPIK3CGPI4KB
SCHEMBL14729109 0.81 ALDH1A1 (0.50) PIK3CDPIK3CBPI4KAPIK3CGPI4KB
SCHEMBL14729110 0.81 GPR119 (0.49) ALDH1A1
SCHEMBL14729097 0.81 MAPT (0.45) PIK3CDPIK3CBPI4KAPIK3CGPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
EP-2566860-B1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-09-10 EP disclosed
EP-2566860-B1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-09-10 EP disclosed
EP-2566860-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS Bristol-Myers Squibb Company (US) 2013-03-13 EP disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 US disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 US disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 US disclosed
WO-2011140160-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 WO disclosed
WO-2011140160-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 WO 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-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS GPR119, GPR139, GPR4 PIK3CD 2060/4885PIK3CB 2687/4885PI4KA 2341/4885

“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.