SCHEMBL8286103

SCHEMBL8286103

CCOc1ccc(C(CC)NC)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.54
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
PLK1 P53350 1/20 0.44
LTA4H P09960 2/20 0.42
ACACB O00763 4/20 0.42
CNR2 P34972 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC2A1 P11166 1/20 0.41
FAAH O00519 2/20 0.41
LMNA P02545 2/20 0.41
ACACA Q13085 1/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL8286720 0.85 SLC2A1 (0.50) PLK1LTA4HACACBSLC2A1FAAH
SCHEMBL8286096 0.82 FAAH (0.49) TDP1TSHRMAPTL3MBTL1FAAH
SCHEMBL23209638 0.80 NQO1 (0.58) NQO1TDP1TSHRPLK1LTA4H
SCHEMBL28072063 0.80 BCHE (0.50) MAPTL3MBTL1LMNACYP1A2
SCHEMBL178514 0.78 NQO1 (0.56) NQO1ACACBMEN1KMT2ALMNA
SCHEMBL8286106 0.78 MAPK1 (0.42) TDP1MAPTMEN1KMT2AL3MBTL1
SCHEMBL21120219 0.76 LMNA (0.42) NQO1PLK1ACACBCNR2MAPT
SCHEMBL14452548 0.75 ALDH1A1 (0.53) TDP1CNR2MAPTMEN1KMT2A
SCHEMBL12188825 0.75 NQO1 (0.64) NQO1TDP1TSHRLTA4HACACB
SCHEMBL8285914 0.75 ALDH1A1 (0.53) TDP1CNR2MAPTMEN1KMT2A

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
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 US disclosed
WO-2005058892-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 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-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A NQO1 362/4885TDP1 484/4885TSHR 1576/4885

“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.