SCHEMBL1435014

SCHEMBL1435014

CCn1ncc2c(NC3CCN(C(N)=O)CC3)c(CNC(=O)c3ccc4c(c3)CCC4)c(C)nc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.39
EHMT2 Q96KQ7 1/20 0.37
KLKB1 P03952 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
PDE4D Q08499 3/20 0.36

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
SCHEMBL1434965 0.92 PDE4B (0.39) PDE4BEHMT2SMYD3PDE4D
SCHEMBL1434802 0.89 PDE4B (0.51) PDE4B
SCHEMBL1434653 0.88 PDE4B (0.42) PDE4BKLKB1PDE4D
SCHEMBL1435699 0.87 PDE4B (0.41) PDE4BPDE4D
SCHEMBL1434726 0.86 PDE4B (0.41) PDE4B
SCHEMBL1434576 0.86 PDE4B (0.42) PDE4BKLKB1SMYD3PDE4D
SCHEMBL1435910 0.86 PDE4B (0.41) PDE4BKLKB1
SCHEMBL4112146 0.85 KLKB1 (0.43) PDE4BKLKB1
SCHEMBL1435253 0.85 PDE4B (0.40) PDE4B
SCHEMBL1435209 0.84 PDE4B (0.40) PDE4BKLKB1SMYD3

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 1/4885EHMT2 808/4885KLKB1 2982/4885

“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.