SCHEMBL1817177

SCHEMBL1817177

COc1c(N)nc(-c2cccc(F)c2)nc1Cl

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHPS P49366 15/20 0.57
FYN P06241 1/20 0.47
DPP4 P27487 2/20 0.46
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL1809226 0.90 PDGFRB (0.48) DHPSFYNPDGFRBPDGFRA
SCHEMBL28568909 0.86 DHPS (0.79) DHPS
SCHEMBL30410753 0.86 DHPS (0.79) DHPS
SCHEMBL24914997 0.83 DHPS (0.76) DHPSADORA2AADORA1
SCHEMBL18427352 0.83 PDGFRB (0.43) DHPSFYNPDGFRBPDGFRA
SCHEMBL5251309 0.82 DHPS (0.74) DHPSDPP4
SCHEMBL12958861 0.81 DPP4 (0.48) DHPSDPP4ADORA2AADORA1
SCHEMBL24914999 0.80 DHPS (0.54) DHPSADORA2AADORA1
SCHEMBL28584109 0.78 DHPS (0.65) DHPSPDGFRBPDGFRA
SCHEMBL1810399 0.78 DPP4 (0.48) DHPSDPP4ADORA2AADORA1

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-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 US disclosed
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
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 EP disclosed
CN-102725291-A Bicyclic pyridines and analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2012-10-10 CN 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
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 DHPS 2393/4885FYN 1255/4885DPP4 1523/4885

“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.