SCHEMBL1823715

SCHEMBL1823715

CCCCCc1cnc2c(n1)NCCO2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
ITGAV P06756 3/20 0.31
ITGB3 P05106 2/20 0.31
TLR7 Q9NYK1 1/20 0.30
ITGB6 P18564 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
SCHEMBL12807108 0.76 KCNH2 (0.42) KCNH2ITGAVITGB3ITGB6
SCHEMBL20387732 0.75 KCNH2 (0.41) KCNH2ITGAVITGB3ITGB6
SCHEMBL12807110 0.74 KCNH2 (0.34) KCNH2ITGAVITGB3ITGB6
SCHEMBL1825269 0.73 GRM5 (0.43) KCNH2ITGAVITGB3ITGB6
SCHEMBL1830255 0.72 GRM5 (0.34) TLR7
SCHEMBL8172614 0.71 ITGAV (0.38) KCNH2ITGAVITGB3ITGB6
SCHEMBL1827208 0.71 KCNH2 (0.34) KCNH2
SCHEMBL1808178 0.69 GRM5 (0.34)
SCHEMBL12807123 0.69 KCNH2 (0.41) KCNH2ITGAVITGB3ITGB6
SCHEMBL12807141 0.68 MKNK1 (0.37)

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 KCNH2 3594/4885ITGAV 4645/4885ITGB3 4292/4885

“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.