SCHEMBL3880202

SCHEMBL3880202

CC(C)(C)OC(=O)N1CCC(Oc2c(C#N)cnc3ccc(C=O)cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.48
PIK3CD O00329 3/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
TBK1 Q9UHD2 1/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
CHEK2 O96017 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL3887363 0.88 GPR119 (0.49) GPR119PIK3CDIRAK4NPBWR1MCHR1
SCHEMBL3879988 0.84 GPR119 (0.41) GPR119PIK3CDIRAK4NPBWR1MCHR1
SCHEMBL13955850 0.84 GPR119 (0.44) GPR119PIK3CDIRAK4NPBWR1MCHR1
SCHEMBL13955655 0.82 GPR119 (0.43) GPR119PIK3CDIRAK4NPBWR1MCHR1
SCHEMBL3880872 0.82 IRAK4 (0.42) GPR119PIK3CDIRAK4NPBWR1MCHR1
SCHEMBL5507155 0.80 IDO1 (0.54) GPR119PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3884763 0.78 PDE9A (0.39) TBK1
SCHEMBL13060394 0.74 GPR119 (0.63) GPR119NPBWR1MCHR1PDE4APDE4B
SCHEMBL3255941 0.73 GPR119 (0.52) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL224172 0.72 GPR119 (0.63) GPR119CHEK2PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771443-B1 QUINOLINE THIAZOLINONES WITH CDK-1 ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2009-01-07 EP disclosed
EP-1771443-B1 QUINOLINE THIAZOLINONES WITH CDK-1 ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2009-01-07 EP disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
US-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CHEN LI 2006-01-05 US 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-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CDK1, CDK17, CDK14 GPR119 4582/4885PIK3CD 728/4885IRAK4 2540/4885

“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.