SCHEMBL1841385

SCHEMBL1841385

CCCCCc1ccc2c(n1)NCCCN2CC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.39
▸ ITGAV P06756 16/20 0.38
▸ ITGB3 P05106 13/20 0.38
▸ ITGB6 P18564 4/20 0.36
▸ ITGB5 P18084 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ITGB8 P26012 1/20 0.32
▸ CNR2 P34972 1/20 0.32

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
SCHEMBL12807021 0.80 ITGAV (0.42) KCNH2ITGAVITGB3ITGB6ITGB5
SCHEMBL12807006 0.74 ITGAV (0.58) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL1827947 0.73 ITGAV (0.54) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL21766819 0.73 ITGAV (0.60) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL12807123 0.71 KCNH2 (0.41) KCNH2ITGAVITGB3ITGB6ITGB5
SCHEMBL12807167 0.70 KCNH2 (0.40) KCNH2ITGAVITGB3ITGB6MEN1
SCHEMBL1828910 0.70 ITGAV (0.45) KCNH2ITGAVITGB3ITGB6ITGB5
SCHEMBL20733150 0.70 PTGER4 (0.39) —
SCHEMBL13833866 0.70 ITGAV (0.56) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL30336058 0.70 ITGAV (0.56) ITGAVITGB3ITGB6ITGB5ITGB8

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.

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