SCHEMBL4091934

SCHEMBL4091934

CN(C(N)=O)C(=O)[CH]Cc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
IDO1 P14902 2/20 0.39
AOC3 Q16853 2/20 0.39
RIPK1 Q13546 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
EPHX1 P07099 1/20 0.36
ALOX5 P09917 1/20 0.36
PYCR1 P32322 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAOB P27338 1/20 0.36
PARP10 Q53GL7 1/20 0.36

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
SCHEMBL4955729 0.85 CA2 (0.43) IDO1TAAR1CYP2C19
SCHEMBL4958583 0.84 ALDH1A1 (0.41) IDO1AOC3PYCR1CYP1A2CYP2C19
SCHEMBL3136211 0.83 NPC1 (0.40) IDO1AOC3ALOX5CYP2C19MAOB
SCHEMBL3133352 0.81 ALDH1A1 (0.39) SMN1; SMN2CYP1A2CYP2C19
SCHEMBL10002450 0.77 TRPA1 (0.48) TRPA1IDO1TDP1TAAR1SMN1; SMN2
SCHEMBL4958677 0.76 PYCR1 (0.41) AOC3PYCR1CYP1A2
SCHEMBL4462525 0.75 TDP1 (0.56) AOC3RIPK1TDP1POLBAPEX1
SCHEMBL3140568 0.73 RECQL (0.47) RIPK1CYP1A2
SCHEMBL4076883 0.73 L3MBTL1 (0.41) TRPA1RIPK1TAAR1
SCHEMBL3998539 0.72 PARP10 (0.53) ALOX5PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 US disclosed
US-7405210-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase OSI PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE BRADLEY STUART E 2007-10-18 US disclosed
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2005-11-24 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 (3 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-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE PYGL, PYGM, PYGB TRPA1 4826/4885IDO1 1829/4885AOC3 3270/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB TRPA1 4826/4885IDO1 1829/4885AOC3 3270/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB TRPA1 4826/4885IDO1 1829/4885AOC3 3270/4885

“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.