SCHEMBL8938515

SCHEMBL8938515

O=C1CC=Cc2cc(OC3CCNCC3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 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
HRH1 P35367 3/20 0.43
IKBKB O14920 1/20 0.42
HRH3 Q9Y5N1 2/20 0.39
PRKCZ Q05513 2/20 0.39
PARP1 P09874 1/20 0.38
DYRK1A Q13627 1/20 0.37
TIPARP Q7Z3E1 1/20 0.37
ALK Q9UM73 1/20 0.36

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
SCHEMBL14553125 0.92 ROCK1 (0.48) ROCK1ROCK2PRKACAPRKCDPRKG1
SCHEMBL8938501 0.76 MAP2K1 (0.40) HRH1
SCHEMBL1794738 0.75 ROCK1 (0.54) ROCK1ROCK2PRKACAPRKCDPRKG1
SCHEMBL28569831 0.73 KDM4E (0.44)
SCHEMBL21461282 0.71 HRH3 (0.51) ROCK1ROCK2PRKACAPRKCDPRKG1
SCHEMBL1795039 0.70 HRH1 (0.54) ROCK1ROCK2PRKACAPRKCDPRKG1
SCHEMBL29595641 0.70 HRH3 (0.50) ROCK1ROCK2PRKACAPRKCDPRKG1
SCHEMBL20324715 0.70 HRH3 (0.50) ROCK1ROCK2PRKACAPRKCDPRKG1
SCHEMBL29872097 0.69 PARP11 (0.51) ROCK1ROCK2PRKACAPRKCDPRKG1
SCHEMBL20324756 0.69 HRH3 (0.51) ROCK1ROCK2PRKACAPRKCDPRKG1

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-8710078-B2 Crystalline solvates of 6-(piperidin-4-yloxy)-2H-isoquinolin-1-one hydrochloride SANOFI (FR) 2014-04-29 US disclosed
US-20130012444-A1 CRYSTALLINE SOLVATES OF 6-(PIPERIDIN-4-YLOXY)-2H-ISOQUINOLIN-1-ONE HYDROCHLORIDE SANOFI (FR) 2013-01-10 US disclosed
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 US 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-20130012444-A1 CRYSTALLINE SOLVATES OF 6-(PIPERIDIN-4-YLOXY)-2H-ISOQUINOLIN-1-ONE HYDROCHLORIDE AQP1, AQP3, AQP4 ROCK1 1082/4885ROCK2 1684/4885PRKACA 1397/4885

“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.