SCHEMBL2608546

SCHEMBL2608546

Cc1cc2cc(C=O)[nH]c2cn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.46
CYP1A2 P05177 1/20 0.37
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
NR3C1 P04150 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 2/20 0.31
UHRF1 Q96T88 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
SCHEMBL19114247 0.79 CYP2A6 (0.46) CYP2A6
SCHEMBL4268436 0.79 CYP2A6 (0.46) CYP2A6
SCHEMBL4276322 0.78 CYP2A6 (0.42) CYP2A6MAPT
SCHEMBL29951945 0.78 CYP2A6 (0.42) CYP2A6MAPT
SCHEMBL2608078 0.76 CYP2A6 (0.43) CYP2A6
SCHEMBL7920633 0.75 CYP2A6 (0.44) CYP2A6CYP1A2NR3C1CYP3A4MAPT
SCHEMBL2608538 0.75 CYP2A6 (0.42) CYP2A6
SCHEMBL30595155 0.73 CYP2A6 (0.52) CYP2A6
SCHEMBL22397020 0.73 CYP2A6 (0.52) CYP2A6CYP1A2GRIA1GRIA2GRIA3
SCHEMBL19153109 0.70 CYP1A2 (0.44) CYP2A6CYP1A2MAPTUHRF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed
EP-1636224-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LTD (GB) 2010-07-14 EP disclosed
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 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 (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-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB CYP2A6 1949/4885CYP1A2 1076/4885GRIA1 1733/4885

“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.