SCHEMBL4863557

SCHEMBL4863557

[CH2]c1cccc(CC=C)c1CC=C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
AKR1B1 P15121 1/20 0.38
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
MAPT P10636 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 3/20 0.34
GAA P10253 3/20 0.34
LMNA P02545 3/20 0.34
KDM4E B2RXH2 3/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ALOX12 P18054 2/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL18136 0.86 GABRA1 (0.56) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL2362269 0.80 GABRA1 (0.61) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL4170461 0.80 GABRA1 (0.50) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL4857184 0.80 GABRA1 (0.40) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL12076599 0.79 GABRA1 (0.54) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL170726 0.79 GABRA1 (0.48) GABRA1GABRB2AKR1B1KMT2AMEN1
Ammonia Solution, Strong SCHEMBL11203810 0.78 GABRA1 (0.48) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL10625758 0.78 GABRA1 (0.48) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL10625097 0.78 GABRA1 (0.48) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL7526525 0.78 GABRA1 (0.48) GABRA1GABRB2AKR1B1KMT2AMEN1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465743-B2 Pyrazolo[3,4-b]pyridine compounds, and their use as PDE4 inhibitors GLAXO GROUP LIMITED (GB) 2008-12-16 US claimed
US-20080275078-A1 Pyrazolo[3,4-B] Pyridine Compounds and Their Use as Pde4 Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-06 US claimed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US claimed
US-20070167485-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as pde4 inhibitors GLAXO GROUP LIMITED (GB) 2007-07-19 US claimed
EP-1740590-A1 PYRAZOLO [3,4- b] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2007-01-10 EP claimed
EP-1735315-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2006-12-27 EP claimed
US-20060089375-A1 Pyrazolo[3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2006-04-27 US claimed
WO-2005090354-A1 PYRAZOLO[3,4-b] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-09-29 WO claimed
WO-2005090353-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-09-29 WO claimed
EP-1539753-A2 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-15 EP claimed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 WO claimed
US-7465743-B2 Pyrazolo[3,4-b]pyridine compounds, and their use as PDE4 inhibitors GLAXO GROUP LIMITED (GB) 2008-12-16 US disclosed
US-20080275078-A1 Pyrazolo[3,4-B] Pyridine Compounds and Their Use as Pde4 Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-06 US disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
US-20070167485-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as pde4 inhibitors GLAXO GROUP LIMITED (GB) 2007-07-19 US disclosed
WO-2005090354-A1 PYRAZOLO[3,4-b] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-09-29 WO disclosed
WO-2005090353-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-09-29 WO disclosed
EP-1539753-A2 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-15 EP disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 WO disclosed
US-4058439-A POLYAMIDE, POLISHING AGENT SONY CORPORATION (JA) 1977-11-15 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 (4 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-20070167485-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as pde4 inhibitors PDE3B, PDE3A, PDE4A GABRA1 2442/4885GABRB2 2135/4885AKR1B1 574/4885
US-20080275078-A1 Pyrazolo[3,4-B] Pyridine Compounds and Their Use as Pde4 Inhibitors PDE4B, PDE3B, PDE4A GABRA1 2684/4885GABRB2 2058/4885AKR1B1 386/4885
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors PDE5A, PDE3B, PDE4A GABRA1 2223/4885GABRB2 2140/4885AKR1B1 508/4885
US-20060089375-A1 Pyrazolo[3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors PDE5A, PDE3B, PDE4A GABRA1 2223/4885GABRB2 2140/4885AKR1B1 508/4885

“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.