SCHEMBL8284261

SCHEMBL8284261

CCC(NC)c1cccc(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.37
ADRA2B P18089 4/20 0.37
ADRA2C P18825 4/20 0.37
ADRA1A P35348 3/20 0.37
ADRA1B P35368 3/20 0.37
ADRA1D P25100 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
KCNH2 Q12809 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
HTR1B P28222 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR7 P34969 1/20 0.36
TRPA1 O75762 1/20 0.34
ATM Q13315 1/20 0.34
NR3C1 P04150 1/20 0.33

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
SCHEMBL8286102 0.84 ESR1 (0.43) CYP2D6KCNH2CYP3A4TSHRSLC6A2
SCHEMBL11628180 0.83 SCN4A (0.36) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL24129481 0.81 ALDH1A1 (0.45) ADRA2AADRA2BADRA2CCYP2D6CYP2C19
SCHEMBL24222490 0.81 ADRB1 (0.36) ADRA2AADRA2BADRA2CCYP2D6CYP2C19
SCHEMBL8285919 0.78 CA1 (0.37) CYP2D6KCNH2CYP1A2CYP3A4CYP2C9
SCHEMBL5610783 0.75 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL4928991 0.74 TRPA1 (0.31) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL8286108 0.74 HTR2A (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL27391011 0.74 TSHR (0.52) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL30271547 0.72 LMNA (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1B

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 ADRA2A 149/4885ADRA2B 39/4885ADRA2C 60/4885

“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.