SCHEMBL2507776

SCHEMBL2507776

Nc1c(OC2CCNCC2)ccc2cnccc12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.57
CHUK O15111 7/20 0.57
ROCK1 Q13464 6/20 0.50
LCK P06239 2/20 0.50
PRKCZ Q05513 3/20 0.49
AKT1 P31749 1/20 0.49
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
ROCK2 O75116 1/20 0.41
CDC42BPB Q9Y5S2 1/20 0.41
PIM1 P11309 2/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL12192644 0.84 IKBKB (0.54) IKBKBCHUKROCK1LCKPRKCZ
SCHEMBL12192636 0.84 IKBKB (0.61) IKBKBCHUKROCK1LCKPRKCZ
SCHEMBL12192654 0.84 IKBKB (0.54) IKBKBCHUKROCK1LCKPRKCZ
SCHEMBL12192613 0.84 IKBKB (0.54) IKBKBCHUKROCK1LCKPRKCZ
SCHEMBL12192783 0.83 IKBKB (0.53) IKBKBCHUKROCK1LCKPRKCZ
Hydrochloric Acid SCHEMBL2497632 0.83 IKBKB (0.53) IKBKBCHUKROCK1LCKPRKCZ
SCHEMBL12192674 0.82 IKBKB (0.52) IKBKBCHUKROCK1LCKPRKCZ
SCHEMBL5459166 0.81 IKBKB (0.56) IKBKBCHUKROCK1LCKPRKCZ
SCHEMBL12192646 0.81 IKBKB (0.51) IKBKBCHUKROCK1LCKPRKCZ
SCHEMBL12192640 0.81 IKBKB (0.51) IKBKBCHUKROCK1LCKPRKCZ

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 17 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
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 955/4885ROCK1 7/4885
US-20090088429-A1 Isoquinoline Derivatives MYLK2, MYLK, RHOT2 IKBKB 866/4885CHUK 955/4885ROCK1 7/4885

“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.