SCHEMBL1434993

SCHEMBL1434993

CCc1nc2c(cnn2CC)c(NC2CCN(C(N)=O)CC2)c1CNC(=O)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.42
PIK3CA P42336 3/20 0.40
MTOR P42345 3/20 0.40
PDE7A Q13946 1/20 0.36
PDE4D Q08499 2/20 0.36
SMYD3 Q9H7B4 1/20 0.35

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
SCHEMBL1435627 0.93 PDE4B (0.45) PDE4BPIK3CAMTOR
SCHEMBL4520179 0.93 PDE4B (0.44) PDE4BPDE7APDE4D
SCHEMBL1434576 0.92 PDE4B (0.42) PDE4BPIK3CAMTORPDE4DSMYD3
SCHEMBL2244424 0.91 PDE4B (0.42) PDE4BPDE7APDE4D
SCHEMBL4514518 0.91 PDE4B (0.42) PDE4BPIK3CAMTORPDE7APDE4D
SCHEMBL1434952 0.90 PDE4B (0.51) PDE4BPIK3CAMTORPDE7A
SCHEMBL1434699 0.90 PDE4B (0.51) PDE4BPIK3CAMTORPDE7A
Hydrochloric Acid SCHEMBL1561763 0.90 PDE4B (0.42) PDE4BPDE7APDE4D
SCHEMBL4511077 0.89 PDE4B (0.43) PDE4BPDE7APDE4D
SCHEMBL1435083 0.89 PDE4B (0.40) PDE4BPDE7APDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940835-B1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LTD (GB) 2011-03-30 EP disclosed
US-20090131431-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as a PDE4 inhibitors GLAXO GROUP LIMITED (GB) 2009-05-21 US disclosed
EP-1940835-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-07-09 EP disclosed
WO-2007036733-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-05 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-20090131431-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as a PDE4 inhibitors PDE4B, PDE3B, PDE4A PDE4B 1/4885PIK3CA 1194/4885MTOR 3790/4885

“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.