SCHEMBL2108503

SCHEMBL2108503

O=C(c1cccnc1CBr)c1cccnc1CBr

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 7/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
AGER Q15109 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
NAPRT Q6XQN6 2/20 0.42
LMNA P02545 1/20 0.42
P2RX7 Q99572 1/20 0.42
PARP1 P09874 1/20 0.39
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
SYK P43405 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL5252687 0.86 KDM4E (0.59) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL12204906 0.84 P2RX7 (0.43) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL5196284 0.84 PARP1 (0.53) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL8472827 0.82 KDM4E (0.46) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL9768749 0.82 P2RX7 (0.44) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL29361610 0.80 TDP1 (0.53) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL4556786 0.80 TDP1 (0.53) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL158842 0.77 POLB (0.49) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL1542171 0.77 TSHR (0.58) ALDH1A1L3MBTL1MAPTTSHRSMN1; SMN2
SCHEMBL29570791 0.77 TSHR (0.58) ALDH1A1L3MBTL1MAPTTSHRSMN1; SMN2

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 8 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
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
EP-1636224-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE Prosidion Limited (GB) 2006-03-22 EP disclosed
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2005-11-24 US disclosed
WO-2004104001-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LIMITED (GB) 2004-12-02 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 (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 KDM4E 2422/4885TDP1 346/4885ALDH1A1 720/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB KDM4E 2422/4885TDP1 346/4885ALDH1A1 720/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB KDM4E 2422/4885TDP1 346/4885ALDH1A1 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.