SCHEMBL1434869

SCHEMBL1434869

CCc1nc2c(cnn2CC)c(NC2CCN(C(N)=O)CC2)c1CNC(=O)c1cccc(N2CCCC2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 2/20 0.41
RAB9A P51151 7/20 0.41
NPC1 O15118 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
KLKB1 P03952 1/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PDE4B Q07343 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
SCHEMBL4112146 0.93 KLKB1 (0.43) GFERGAATSHRRAB9ANPC1
SCHEMBL1434623 0.92 HSD17B10 (0.42) TSHRRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL1434852 0.91 PDE4B (0.48) GFERGAATSHRRAB9ANPC1
SCHEMBL1434965 0.86 PDE4B (0.39) PDE4B
SCHEMBL4520179 0.85 PDE4B (0.44) PDE4B
SCHEMBL2244424 0.84 PDE4B (0.42) PDE4B
SCHEMBL4518083 0.84 PDE4B (0.43) KLKB1PDE4B
SCHEMBL1434792 0.84 PDE4B (0.40) MAPTALDH1A1PDE4B
Hydrochloric Acid SCHEMBL1561763 0.84 PDE4B (0.42) PDE4B
SCHEMBL1435777 0.83 PDE4B (0.48) GFERGAATSHRRAB9ANPC1

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 GFER 2236/4885GAA 4557/4885TSHR 912/4885

“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.