SCHEMBL2499552

SCHEMBL2499552

CC(C)(C)OC(=O)N1CCC(Oc2cc3ccncc3cc2Br)CC1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.76
CHUK O15111 2/20 0.56
GPR119 Q8TDV5 9/20 0.47
PDE4B Q07343 3/20 0.46
PDE4A P27815 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
KDM1A O60341 1/20 0.46
NAMPT P43490 1/20 0.44
DYRK1A Q13627 1/20 0.44

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
SCHEMBL13686752 0.88 IKBKB (0.58) IKBKBCHUKGPR119PDE4BPDE4A
SCHEMBL2507279 0.85 IKBKB (0.55) IKBKBCHUKGPR119PDE4BPDE4A
SCHEMBL2496652 0.85 IKBKB (0.55) IKBKBCHUKGPR119
SCHEMBL23360301 0.84 IKBKB (0.54) IKBKBCHUKGPR119DYRK1A
SCHEMBL29862689 0.84 IKBKB (0.54) IKBKBCHUKGPR119DYRK1A
SCHEMBL29862463 0.83 GPR119 (0.54) IKBKBCHUKGPR119DYRK1A
SCHEMBL2503394 0.83 GPR119 (0.54) IKBKBCHUKGPR119DYRK1A
SCHEMBL30701894 0.83 GPR119 (0.54) IKBKBCHUKGPR119DYRK1A
SCHEMBL2502944 0.82 IKBKB (0.50) IKBKBGPR119PDE4BPDE4APDE4C
SCHEMBL2499402 0.81 IKBKB (0.57) IKBKBCHUKGPR119PDE4BPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722671-B2 Isoquinoline derivatives SANOFI (FR) 2014-05-13 US disclosed
US-8722671-B2 Isoquinoline derivatives SANOFI (FR) 2014-05-13 US disclosed
US-8722671-B2 Isoquinoline derivatives SANOFI (FR) 2014-05-13 US disclosed
US-8501736-B2 Isoquinoline derivatives SANOFI (FR) 2013-08-06 US disclosed
US-8501736-B2 Isoquinoline derivatives SANOFI (FR) 2013-08-06 US disclosed
US-8501736-B2 Isoquinoline derivatives SANOFI (FR) 2013-08-06 US disclosed
US-20110245248-A1 ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-06 US disclosed
US-20110245248-A1 ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-06 US disclosed
US-20110245248-A1 ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-06 US disclosed
EP-1899322-B1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI AVENTIS (FR) 2009-09-02 EP disclosed
US-20090088429-A1 Isoquinoline Derivatives SANOFI-AVENTIS (FR) 2009-04-02 US disclosed
US-20090088429-A1 Isoquinoline Derivatives SANOFI-AVENTIS (FR) 2009-04-02 US disclosed
US-20090088429-A1 Isoquinoline Derivatives SANOFI-AVENTIS (FR) 2009-04-02 US disclosed
EP-1899322-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE Sanofi-Aventis (FR) 2008-03-19 EP disclosed
WO-2007000240-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI-AVENTIS (DE) 2007-01-04 WO disclosed
WO-2007000240-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI-AVENTIS (DE) 2007-01-04 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 (2 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-20110245248-A1 ISOQUINOLINE DERIVATIVES MYLK2, MYLK, RHOT2 IKBKB 866/4885CHUK 955/4885GPR119 2425/4885
US-20090088429-A1 Isoquinoline Derivatives MYLK2, MYLK, RHOT2 IKBKB 866/4885CHUK 955/4885GPR119 2425/4885

“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.