SCHEMBL1434740

SCHEMBL1434740

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(N2CCOCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.51
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
PLOD2 O00469 2/20 0.40
PLOD3 O60568 2/20 0.40
PLOD1 Q02809 2/20 0.40
HDAC3 O15379 1/20 0.39
KDM1A O60341 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL1434758 0.92 PDE4B (0.53) PDE4BPIK3CAMTOR
SCHEMBL1561124 0.90 PDE4B (0.53) PDE4B
SCHEMBL4525151 0.90 PDE4B (0.55) PDE4B
SCHEMBL1362208 0.89 PDE4B (0.56) PDE4B
SCHEMBL1434852 0.89 PDE4B (0.48) PDE4B
SCHEMBL1434547 0.88 PDE4B (0.62) PDE4B
SCHEMBL1362294 0.88 PDE4B (0.56) PDE4B
SCHEMBL1362330 0.88 PDE4B (0.53) PDE4B
SCHEMBL4525034 0.88 PDE4B (0.54) PDE4B
SCHEMBL4523542 0.88 PDE4B (0.58) PDE4B

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 2 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

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.