SCHEMBL2608078

SCHEMBL2608078

N#Cc1cc2cc(C=O)[nH]c2cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.43
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
CHEK1 O14757 14/20 0.38
DGAT1 O75907 1/20 0.33
PDE9A O76083 1/20 0.32

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
SCHEMBL2608546 0.76 CYP2A6 (0.46) CYP2A6
SCHEMBL4268436 0.76 CYP2A6 (0.46) CYP2A6GABRPGABRDGABRA1GABRB1
SCHEMBL19114247 0.76 CYP2A6 (0.46) CYP2A6CHEK1
SCHEMBL29951945 0.72 CYP2A6 (0.42) CYP2A6GABRPGABRDGABRA1GABRB1
SCHEMBL2107455 0.72 GPR35 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1420675 0.71 CYP2A6 (0.53) CYP2A6CHEK1
SCHEMBL30595155 0.71 CYP2A6 (0.52) CYP2A6
SCHEMBL3145657 0.69 CHEK1 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29956442 0.68 CYP2A6 (0.53) CYP2A6
SCHEMBL877039 0.67 CHEK1 (0.38) GABRPGABRDGABRA1GABRB1GABRG2

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB CYP2A6 1949/4885GABRP 1558/4885GABRD 3207/4885

“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.