SCHEMBL1810399

SCHEMBL1810399

Nc1nc(-c2cccc(F)c2)nc(Cl)c1O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.48
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
DHPS P49366 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
HTT P42858 1/20 0.41
ESR2 Q92731 1/20 0.41
HPGDS O60760 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.39
NT5E P21589 1/20 0.39

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
SCHEMBL12958861 0.82 DPP4 (0.48) DPP4ADORA2AADORA1DHPSMEN1
SCHEMBL375243 0.79 LMNA (0.46) DPP4MEN1KMT2AKDM4EMAPT
SCHEMBL1817177 0.78 DHPS (0.57) DPP4ADORA2AADORA1DHPS
SCHEMBL12958859 0.76 TRPM8 (0.42) MEN1KMT2AKDM4EMAPTESR2
SCHEMBL12958862 0.76 LMNA (0.43) DPP4ADORA2AADORA1MEN1KMT2A
SCHEMBL27095783 0.74 TAAR1 (0.56) DPP4MEN1KMT2AKDM4EMAPT
SCHEMBL22832949 0.73 KDM4E (0.57) DPP4DHPSMEN1KMT2AKDM4E
SCHEMBL2117948 0.73 ESR2 (0.52) DPP4MEN1KMT2AKDM4EMAPT
SCHEMBL670606 0.73 RAB9A (0.61) DPP4ADORA2AADORA1MEN1KMT2A
SCHEMBL30414816 0.73 NT5E (0.46) DPP4MEN1KMT2AKDM4EMAPT

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 11 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
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
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 DPP4 1523/4885ADORA2A 688/4885ADORA1 916/4885

“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.