SCHEMBL4330797

SCHEMBL4330797

CN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.64
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPT P10636 4/20 0.54
HTT P42858 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 2/20 0.54
ALDH1A1 P00352 7/20 0.52
TSHR P16473 3/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.50
SLC6A2 P23975 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
SLC6A3 Q01959 1/20 0.49

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
SCHEMBL9001768 0.84 POLB (0.62) MEN1KMT2AHTTSMN1; SMN2POLB
SCHEMBL27978949 0.84 MAPT (0.60) CCR5MEN1KMT2AMAPTHTT
SCHEMBL4493653 0.83 KMT2A (0.85) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL11682628 0.80 MEN1 (0.60) CCR5MEN1KMT2AMAPTHTT
SCHEMBL11223989 0.79 KCNH2 (0.56) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL2227459 0.79 POLB (0.66) MEN1KMT2AHTTSMN1; SMN2POLB
SCHEMBL3457039 0.79 ALDH1A1 (0.57) MEN1KMT2AHTTSMN1; SMN2POLB
SCHEMBL3347418 0.78 ALDH1A1 (0.67) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL30568852 0.78 ALDH1A1 (0.67) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL6925445 0.78 MEN1 (0.58) MEN1KMT2AMAPTHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539753-B1 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2009-09-09 EP disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
CN-100387598-C Pyrazolo[3,4-b]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2008-05-14 CN disclosed
US-20060089375-A1 Pyrazolo[3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2006-04-27 US disclosed
CN-1694882-A Pyrazolo[3,4-b]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2005-11-09 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors PDE5A, PDE3B, PDE4A CCR5 269/4885MEN1 4273/4885KMT2A 2690/4885
US-20060089375-A1 Pyrazolo[3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors PDE5A, PDE3B, PDE4A CCR5 269/4885MEN1 4273/4885KMT2A 2690/4885

“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.