SCHEMBL2500632

SCHEMBL2500632

CCc1cncc2ccc(OC3CCNCC3)cc12

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 14/20 0.61
IKBKB O14920 1/20 0.57
ROCK1 Q13464 5/20 0.46
ROCK2 O75116 1/20 0.46
PRKACA P17612 1/20 0.46
PRKCD Q05655 1/20 0.46
PRKG1 Q13976 1/20 0.46
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
AAK1 Q2M2I8 1/20 0.46
CDC42BPA Q5VT25 1/20 0.46
Q6ZSR9 Q6ZSR9 1/20 0.46
BMP2K Q9NSY1 1/20 0.46
CDC42BPB Q9Y5S2 1/20 0.46

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
SCHEMBL1705010 0.85 PRKCZ (0.46) PRKCZIKBKBROCK1
SCHEMBL1705009 0.85 PRKCZ (0.46) PRKCZIKBKBROCK1
SCHEMBL10182816 0.85 PRKCZ (0.46) PRKCZIKBKBROCK1
SCHEMBL12192809 0.83 HRH1 (0.57) PRKCZIKBKBROCK1
SCHEMBL12192805 0.83 PRKCZ (0.65) PRKCZIKBKBROCK1ROCK2PRKACA
SCHEMBL2505022 0.82 PRKCZ (0.54) PRKCZIKBKBROCK1ROCK2PRKACA
SCHEMBL12192931 0.81 PRKCZ (0.65) PRKCZIKBKBROCK1ROCK2PRKACA
Hydrochloric Acid SCHEMBL2502330 0.80 PRKCZ (0.63) PRKCZIKBKBROCK1ROCK2PRKACA
SCHEMBL1705273 0.77 PRKCZ (0.42) PRKCZIKBKB
SCHEMBL8167822 0.77 PRKCZ (0.42) PRKCZIKBKB

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 PRKCZ 74/4885IKBKB 866/4885ROCK1 7/4885
US-20090088429-A1 Isoquinoline Derivatives MYLK2, MYLK, RHOT2 PRKCZ 74/4885IKBKB 866/4885ROCK1 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.