SCHEMBL2108090

SCHEMBL2108090

O=C(NCCN1CCN(Cc2ccccc2)CC1)c1cc2cc(Cl)ncc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
HSD17B10 Q99714 2/20 0.54
ALDH1A1 P00352 2/20 0.53
ACHE P22303 2/20 0.51
BACE1 P56817 1/20 0.51
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
MAPT P10636 1/20 0.48
NAMPT P43490 1/20 0.48
PYGL P06737 1/20 0.48
BCHE P06276 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL24076565 0.84 KDM4E (0.75) KDM4EHSD17B10ALDH1A1HPGDKMT2A
SCHEMBL2106904 0.84 KDM4E (0.65) KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL2107235 0.83 NPC1 (0.59) KDM4EMAPTNAMPTPYGL
SCHEMBL2109176 0.81 CA12 (0.52) KDM4EACHEKMT2AMAPTNAMPT
SCHEMBL2606937 0.79 TACR2 (0.56) KDM4EHSD17B10ALDH1A1PYGL
SCHEMBL2107996 0.77 PYGL (0.51) KDM4EALDH1A1HPGDMAPTPYGL
SCHEMBL30301422 0.77 KDM4E (0.67) KDM4EHSD17B10ALDH1A1SLC6A2SLC6A4
SCHEMBL24076566 0.77 KDM4E (0.67) KDM4EHSD17B10ALDH1A1SLC6A2SLC6A4
SCHEMBL2606812 0.77 CYP51A1 (0.57) PYGL
SCHEMBL2606888 0.75 CNR1 (0.60) KDM4EMAPTNAMPTPYGL

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 10 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
US-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed
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-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-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-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE BRADLEY STUART E 2007-10-18 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-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE PYGL, PYGM, PYGB KDM4E 2422/4885HSD17B10 124/4885ALDH1A1 720/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB KDM4E 2422/4885HSD17B10 124/4885ALDH1A1 720/4885

“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.