SCHEMBL4932491

SCHEMBL4932491

CCc1ccccc1C=N[S+]([O-])C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.38
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CCR3 P51677 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
PTBP1 P26599 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4932481 1.00 GPR3 (0.38) GPR3GABRA1GABRB2CCR3KDM4E
SCHEMBL4933768 0.78 GPR3 (0.41) GPR3KDM4EMEN1ALDH1A1LMNA
SCHEMBL29748388 0.78 GPR3 (0.41) GPR3KDM4EMEN1ALDH1A1LMNA
SCHEMBL12037326 0.78 GPR3 (0.41) GPR3KDM4EMEN1ALDH1A1LMNA
SCHEMBL4933775 0.78 GPR3 (0.41) GPR3KDM4EMEN1ALDH1A1LMNA
SCHEMBL25472036 0.77 GPR3 (0.40) GPR3MEN1ALDH1A1LMNAMAPT
SCHEMBL25232450 0.77 GPR3 (0.40) GPR3MEN1ALDH1A1LMNAMAPT
SCHEMBL14862604 0.77 GRIN2D (0.42) GPR3ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL23579547 0.77 GPR3 (0.40) GPR3MEN1ALDH1A1LMNAMAPT
SCHEMBL14862602 0.77 GRIN2D (0.42) GPR3ALDH1A1LMNAMAPTL3MBTL1

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-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 US disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 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 (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-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C GPR3 290/4885GABRA1 4095/4885GABRB2 4301/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A GPR3 450/4885GABRA1 2223/4885GABRB2 2028/4885

“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.