SCHEMBL8934906

SCHEMBL8934906

CCCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.60
ROCK2 O75116 6/20 0.45
ROCK1 Q13464 3/20 0.45
IGF1R P08069 1/20 0.44
GRK2 P25098 1/20 0.44
GRK5 P34947 1/20 0.44
MAPK8 P45983 1/20 0.44
GRK1 Q15835 1/20 0.44
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
PARP1 P09874 2/20 0.41
PRKACA P17612 1/20 0.41
PRKCD Q05655 1/20 0.41
PRKG1 Q13976 1/20 0.41
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41
Q6ZSR9 Q6ZSR9 1/20 0.41
BMP2K Q9NSY1 1/20 0.41

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
SCHEMBL8934924 0.94 MAP2K1 (0.58) MAP2K1ROCK2ROCK1IGF1RGRK2
SCHEMBL8935056 0.91 MAP2K1 (0.62) MAP2K1ROCK2ROCK1PRKACAPRKCD
SCHEMBL8934943 0.89 MAP2K1 (0.57) MAP2K1ROCK2ROCK1PARP1PRKACA
SCHEMBL8938071 0.88 ROCK1 (0.59) MAP2K1ROCK2ROCK1IGF1RGRK2
SCHEMBL8935067 0.87 ROCK1 (0.45) MAP2K1ROCK2ROCK1IGF1RGRK2
SCHEMBL8938693 0.87 MAP2K1 (0.58) MAP2K1ROCK2ROCK1IGF1RGRK2
SCHEMBL8938150 0.87 MAP2K1 (0.57) MAP2K1ROCK2ROCK1PRKACAPRKCD
SCHEMBL8934947 0.87 MAP2K1 (0.60) MAP2K1ROCK2ROCK1IGF1RGRK2
SCHEMBL8938278 0.86 MAP2K1 (0.59) MAP2K1ROCK2ROCK1PRKACAPRKCD
SCHEMBL8934940 0.86 MAP2K1 (0.59) MAP2K1ROCK2ROCK1PRKACAPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385047-B1 Piperidinyl-substituted isoquinolone derivatives SANOFI SA (FR) 2013-05-29 EP disclosed
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
EP-2385047-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI (FR) 2011-11-09 EP disclosed
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2009-04-09 US disclosed
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2009-04-09 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-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives MYLK2, MYLK, RHOT2 MAP2K1 1916/4885ROCK2 10/4885ROCK1 8/4885

“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.