SCHEMBL2107210

SCHEMBL2107210

CC(C)(C)OC(=O)N1CCC(NCC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc3cc(Cl)ncc3[nH]2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP51A1 Q16850 9/20 0.50
PYGL P06737 3/20 0.50
PYGM P11217 1/20 0.50
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
NTSR1 P30989 1/20 0.41
TP53 P04637 1/20 0.39
NAMPT P43490 1/20 0.39
DNMT3A Q9Y6K1 1/20 0.39
PABPC1 P11940 1/20 0.39
CCNT1 O60563 1/20 0.39
YAP1 P46937 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
SCHEMBL2107208 1.00 CYP51A1 (0.50) CYP51A1PYGLPYGMMAPTMAPK1
SCHEMBL2607191 0.90 CYP51A1 (0.51) CYP51A1PYGLPYGMMAPTMAPK1
SCHEMBL2606959 0.88 CYP51A1 (0.56) CYP51A1PYGLPYGMPABPC1
SCHEMBL2107209 0.86 CYP51A1 (0.50) CYP51A1PYGLPYGMMAPTMAPK1
SCHEMBL2106997 0.86 CYP51A1 (0.58) CYP51A1PYGLPYGMMAPTMAPK1
SCHEMBL2107000 0.86 CYP51A1 (0.58) CYP51A1PYGLPYGMMAPTMAPK1
SCHEMBL2606957 0.86 CYP51A1 (0.54) CYP51A1PYGLPYGMPABPC1
Tert-Butyl Formate SCHEMBL27637882 0.85 PYGL (0.44) CYP51A1PYGLPYGM
SCHEMBL13271478 0.85 CYP51A1 (0.49) CYP51A1PYGLPYGMMAPTMAPK1
SCHEMBL2606955 0.85 CYP51A1 (0.55) CYP51A1PYGLPYGMPABPC1

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 CYP51A1 598/4885PYGL 1/4885PYGM 2/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB CYP51A1 598/4885PYGL 1/4885PYGM 2/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB CYP51A1 598/4885PYGL 1/4885PYGM 2/4885

“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.