SCHEMBL1809226

SCHEMBL1809226

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
DHPS P49366 8/20 0.47
FYN P06241 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.41
NR1I3 Q14994 1/20 0.40
NT5E P21589 1/20 0.40
MAPK10 P53779 1/20 0.40
F2RL3 Q96RI0 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL18427352 0.90 PDGFRB (0.43) PDGFRBPDGFRADHPSFYNABCG2
SCHEMBL1817177 0.90 DHPS (0.57) PDGFRBPDGFRADHPSFYN
SCHEMBL28584109 0.84 DHPS (0.65) PDGFRBPDGFRADHPSABCG2
SCHEMBL12958862 0.81 LMNA (0.43) PDGFRBPDGFRAABCG2NT5EMEN1
SCHEMBL375243 0.81 LMNA (0.46) PDGFRBPDGFRANT5EMEN1ALDH1A1
SCHEMBL24915001 0.81 DHPS (0.64) DHPSNR1I3MAPK10MEN1ALDH1A1
SCHEMBL1812558 0.81 PDGFRB (0.48) PDGFRBPDGFRADHPSFYNABCG2
SCHEMBL18096156 0.80 DHPS (0.61) PDGFRBPDGFRADHPSALDH1A1HPGD
SCHEMBL30410753 0.79 DHPS (0.79) DHPS
SCHEMBL28568909 0.79 DHPS (0.79) DHPS

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-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
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 PDGFRB 890/4885PDGFRA 1259/4885DHPS 2393/4885

“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.