SCHEMBL2363395

SCHEMBL2363395

CCCCCc1ccc2c(n1)C(N)CCC2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
SPHK1 Q9NYA1 3/20 0.34
ITGAV P06756 4/20 0.34
ITGB6 P18564 2/20 0.34
ITGB3 P05106 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
ACHE P22303 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CXCR4 P61073 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
SCHEMBL11855735 0.96 KCNH2 (0.36) KCNH2ITGAVITGB6ITGB3IRAK4
SCHEMBL3858516 0.90 CTSK (0.34) KCNH2IRAK4ACHECXCR4
SCHEMBL4073537 0.84 ACHE (0.35) IRAK4ACHECXCR4
SCHEMBL11522401 0.79 KCNH2 (0.36) KCNH2ITGAVITGB6ITGB3
SCHEMBL11475771 0.76 ITGAV (0.32) KCNH2ITGAVITGB6ITGB3
SCHEMBL11523030 0.75 ITGAV (0.38) ITGAVITGB6ITGB3EDNRBEDNRA
SCHEMBL4071023 0.74 CYP11B1 (0.32) IRAK4
SCHEMBL2363782 0.74 KCNH2 (0.41) KCNH2SPHK1EDNRBEDNRA
SCHEMBL11475774 0.74 ITGAV (0.34) ITGAVITGB6ITGB3ACHEEDNRB
SCHEMBL2357160 0.73 KCNH2 (0.49) KCNH2ITGAVITGB6ITGB3MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-27 US disclosed
EP-2350051-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
WO-2010056549-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-05-20 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-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT6 KCNH2 3453/4885SPHK1 952/4885ITGAV 4688/4885

“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.