SCHEMBL1830255

SCHEMBL1830255

CCCCCc1ncc2c(n1)NCCO2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.34
PDE10A Q9Y233 1/20 0.31
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL30278027 0.84 GRM5 (0.38) GRM5PDE10AALOX5APFEN1
SCHEMBL12807108 0.76 KCNH2 (0.42) GRM5PDE10A
SCHEMBL16692863 0.72 GRM5 (0.40) GRM5PDE10AALOX5APFEN1
SCHEMBL1823715 0.72 KCNH2 (0.35) TLR7
SCHEMBL8172614 0.71 ITGAV (0.38) GRM5PDE10A
SCHEMBL30278032 0.71 GRM5 (0.36) GRM5ALOX5APFEN1
SCHEMBL30698045 0.70 DRD2 (0.41)
SCHEMBL12654074 0.69 GRM5 (0.40) GRM5ALOX5APFEN1
SCHEMBL30442848 0.69 GRM5 (0.40) GRM5ALOX5APFEN1
SCHEMBL30698038 0.69 GRM5 (0.40) GRM5ALOX5APFEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 US disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 EP disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 US disclosed
EP-2493888-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2012-09-05 EP disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 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 (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-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GRM5 1760/4885PDE10A 2827/4885ALOX5AP 2271/4885

“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.