SCHEMBL289839

SCHEMBL289839

Cc1c(O[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)ncnc1N1CCc2nnccc21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.43
PIK3CD O00329 11/20 0.39
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36

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
SCHEMBL10171011 1.00 GPR119 (0.43) GPR119PIK3CDIKBKETBK1PIK3CA
SCHEMBL756593 0.90 GPR119 (0.44) GPR119PIK3CD
SCHEMBL756592 0.90 GPR119 (0.44) GPR119PIK3CD
SCHEMBL756660 0.90 GPR119 (0.35) GPR119PIK3CD
SCHEMBL759312 0.89 GPR119 (0.37) GPR119
SCHEMBL10171013 0.89 GPR119 (0.37) GPR119
SCHEMBL13073552 0.89 GPR119 (0.37) GPR119
SCHEMBL298072 0.81 GPR119 (0.46) GPR119PIK3CDIKBKETBK1PIK3CA
SCHEMBL298251 0.81 GPR119 (0.45) GPR119PIK3CDIKBKETBK1PIK3CA
SCHEMBL1768120 0.81 PIK3CD (0.41) GPR119PIK3CDIKBKETBK1PIK3CA

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-2427448-A1 Gpr 119 modulators Pfizer Inc. (US) 2012-03-14 EP disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
WO-2010128414-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
WO-2010128425-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 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 (2 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-20120052130-A1 GPR 119 MODULATORS GPR119, GPR39, GPR65 GPR119 1/4885PIK3CD 2858/4885IKBKE 3605/4885
US-20100285145-A1 GPR 119 MODULATORS GPR119, GPR65, GPR39 GPR119 1/4885PIK3CD 2502/4885IKBKE 3584/4885

“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.