SCHEMBL2606891

SCHEMBL2606891

COc1ccc2[nH]cc(CCNC(=O)c3cc4cc(Cl)ncc4[nH]3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
POLB P06746 1/20 0.62
MTNR1A P48039 9/20 0.60
MTNR1B P49286 6/20 0.59
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
CYP1A1 P04798 1/20 0.59
MPO P05164 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
HTR1A P08908 1/20 0.59
CYP2D6 P10635 1/20 0.59
HPGD P15428 1/20 0.59
NQO2 P16083 1/20 0.59
HTR2B P41595 1/20 0.59
RAB9A P51151 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
CYP1B1 Q16678 1/20 0.59

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
SCHEMBL2108972 0.81 KDM4E (0.53) KMT2AMTNR1AMTNR1BMEN1ALDH1A1
SCHEMBL2106190 0.80 MEN1 (0.52) KMT2APOLBMTNR1AMTNR1BMEN1
SCHEMBL28872503 0.78 MTNR1A (0.83) KMT2APOLBMTNR1AMTNR1BMEN1
SCHEMBL2107375 0.76 KDM4E (0.47) KMT2AMEN1ALDH1A1KDM4ERAB9A
SCHEMBL29524586 0.76 MTNR1A (0.80) KMT2APOLBMTNR1AMTNR1BMEN1
SCHEMBL23644935 0.76 MTNR1A (0.83) KMT2APOLBMTNR1AMTNR1BMEN1
Melatonin SCHEMBL4686085 0.76 MTNR1A (1.00) KMT2APOLBMTNR1AMTNR1BMEN1
Melatonin SCHEMBL29349848 0.76 MTNR1A (1.00) KMT2APOLBMTNR1AMTNR1BMEN1
Melatonin SCHEMBL19018 0.76 MTNR1A (1.00) KMT2APOLBMTNR1AMTNR1BMEN1
Melatonin SCHEMBL8060688 0.76 MTNR1A (1.00) KMT2APOLBMTNR1AMTNR1BMEN1

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 9 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
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 KMT2A 2476/4885POLB 483/4885MTNR1A 3946/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB KMT2A 2476/4885POLB 483/4885MTNR1A 3946/4885

“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.