SCHEMBL761206

SCHEMBL761206

Cc1c(Cl)ncnc1O[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.47
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
GPR119 Q8TDV5 2/20 0.41
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41

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
SCHEMBL13836529 1.00 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL288648 0.86 PIK3CD (0.39) PIK3CDGPR119TBK1
SCHEMBL298803 0.86 PIK3CD (0.39) PIK3CDGPR119TBK1
SCHEMBL1768128 0.86 PIK3CD (0.39) PIK3CDGPR119TBK1
SCHEMBL10170824 0.86 GPR119 (0.42) PIK3CDGPR119
SCHEMBL1768451 0.86 GPR119 (0.42) PIK3CDGPR119
SCHEMBL1768452 0.86 GPR119 (0.42) PIK3CDGPR119
SCHEMBL1065920 0.83 GPR119 (0.55) PIK3CDGPR119
SCHEMBL12649728 0.79 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL13836355 0.79 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295845-A1 IMIDAZO-PYRAZOLES AS GPR119 INHIBITORS PFIZER INC 2012-11-22 US disclosed
US-20120295845-A1 IMIDAZO-PYRAZOLES AS GPR119 INHIBITORS PFIZER INC 2012-11-22 US disclosed
US-20120295845-A1 IMIDAZO-PYRAZOLES AS GPR119 INHIBITORS PFIZER INC 2012-11-22 US 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
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
WO-2011061679-A1 IMIDAZO-PYRAZOLES AS GPR119 INHIBITORS PFIZER INC. (US) 2011-05-26 WO disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 US 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 (3 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 PIK3CD 2858/4885PIK3CA 3455/4885PIK3CB 3171/4885
US-20100285145-A1 GPR 119 MODULATORS GPR119, GPR65, GPR39 PIK3CD 2502/4885PIK3CA 3033/4885PIK3CB 2527/4885
US-20120295845-A1 IMIDAZO-PYRAZOLES AS GPR119 INHIBITORS GPR3, GPR119, GPR84 PIK3CD 2596/4885PIK3CA 2835/4885PIK3CB 2371/4885

“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.