SCHEMBL1633522

SCHEMBL1633522

CC(C)(C)OC(=O)N1CCC(Oc2ccc(Br)c3cnc(Cl)nc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.47
MCHR1 Q99705 1/20 0.47
PDE4B Q07343 3/20 0.46
PDE4D Q08499 3/20 0.46
PDE4A P27815 2/20 0.46
PDE4C Q08493 2/20 0.46
GPR119 Q8TDV5 11/20 0.44
TOP2A P11388 1/20 0.42
KDM1A O60341 1/20 0.42

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
SCHEMBL1633957 0.87 NPBWR1 (0.45) NPBWR1MCHR1PDE4BPDE4DPDE4A
SCHEMBL1634644 0.83 NPBWR1 (0.52) NPBWR1MCHR1GPR119
SCHEMBL1632232 0.83 KDM1A (0.50) NPBWR1MCHR1PDE4BPDE4DPDE4A
SCHEMBL1318424 0.82 NPBWR1 (0.45) NPBWR1MCHR1PDE4BPDE4DPDE4A
SCHEMBL3720713 0.81 PDE4A (0.48) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL1633865 0.79 SYK (0.47)
SCHEMBL19284625 0.78 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL5412118 0.78 GPR119 (0.46) NPBWR1MCHR1PDE4BPDE4DPDE4A
SCHEMBL19297193 0.77 PDE4B (0.49) NPBWR1MCHR1PDE4BPDE4DPDE4A
SCHEMBL26210196 0.77 TOP2A (0.51) NPBWR1MCHR1PDE4BPDE4DPDE4A

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 NPBWR1 4480/4885MCHR1 4292/4885PDE4B 667/4885

“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.