SCHEMBL2107950

SCHEMBL2107950

N#Cc1ccc2[nH]c(C(=O)O)cc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 1/20 0.45
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 5/20 0.44
HPGD P15428 4/20 0.44
ALDH1A1 P00352 4/20 0.44
PIN1 Q13526 2/20 0.44
LMNA P02545 2/20 0.44
CYP2C19 P33261 2/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
PDPK1 O15530 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DAO P14920 4/20 0.44
SRD5A2 P31213 2/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 2/20 0.42
GPR35 Q9HC97 2/20 0.40

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
SCHEMBL3133401 0.78 NQO1 (0.37) PIN1MAPTKMT2AAHR
SCHEMBL2107349 0.76 DAO (0.41) SMAD3KDM4EHSD17B10HPGDALDH1A1
SCHEMBL30147596 0.76 SMAD3 (0.49) SMAD3KDM4EHSD17B10HPGDALDH1A1
SCHEMBL30189254 0.76 F7 (0.56) SMAD3KDM4EHSD17B10HPGDALDH1A1
SCHEMBL1202548 0.76 F7 (0.56) SMAD3KDM4EHSD17B10HPGDALDH1A1
SCHEMBL25219154 0.76 PIN1 (0.56) SMAD3KDM4EHSD17B10HPGDALDH1A1
SCHEMBL2105708 0.76 SMAD3 (0.49) SMAD3KDM4EHSD17B10HPGDALDH1A1
SCHEMBL30189257 0.76 KDM4E (0.56) SMAD3KDM4EHSD17B10HPGDALDH1A1
SCHEMBL29301419 0.76 KDM4E (0.56) SMAD3KDM4EHSD17B10HPGDALDH1A1
SCHEMBL1609672 0.74 SMAD3 (0.60) SMAD3KDM4EHSD17B10HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636224-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LTD (GB) 2010-07-14 EP claimed
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 US claimed
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE BRADLEY STUART E 2007-10-18 US claimed
EP-1636224-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE Prosidion Limited (GB) 2006-03-22 EP claimed
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2005-11-24 US claimed
WO-2004104001-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LIMITED (GB) 2004-12-02 WO claimed
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
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 SMAD3 2291/4885KDM4E 2422/4885HSD17B10 124/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB SMAD3 2291/4885KDM4E 2422/4885HSD17B10 124/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB SMAD3 2291/4885KDM4E 2422/4885HSD17B10 124/4885

“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.