SCHEMBL1633601

SCHEMBL1633601

CCS(=O)(=O)c1ncc2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2n1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.54
CHEK2 O96017 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL12725725 0.91 GPR119 (0.60) GPR119CHEK2HRH3
SCHEMBL1632991 0.83 GPR119 (0.47) GPR119CHEK2HRH3PDE4APDE4B
SCHEMBL19838563 0.77 GPR119 (0.52) GPR119CHEK2HRH3
SCHEMBL2500642 0.77 GPR119 (0.52) GPR119CHEK2HRH3
SCHEMBL23360301 0.76 IKBKB (0.54) GPR119CHEK2HRH3
SCHEMBL29862689 0.76 IKBKB (0.54) GPR119CHEK2HRH3
SCHEMBL7455853 0.75 GPR119 (0.59) GPR119CHEK2HRH3PDE4APDE4B
SCHEMBL29862463 0.75 GPR119 (0.54) GPR119CHEK2HRH3
SCHEMBL30701894 0.75 GPR119 (0.54) GPR119CHEK2HRH3
SCHEMBL2503394 0.75 GPR119 (0.54) GPR119CHEK2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
EP-2004615-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 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-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 GPR119 602/4885CHEK2 140/4885HRH3 3514/4885

“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.