SCHEMBL3315470

SCHEMBL3315470

CC(C)CN1CC(Nc2ccc3cnccc3c2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.46
ROCK1 Q13464 5/20 0.46
DDX3X O00571 1/20 0.43
AKT1 P31749 1/20 0.42
PRMT3 O60678 8/20 0.42
IMPDH2 P12268 1/20 0.40
NTSR1 P30989 1/20 0.39
NR3C1 P04150 1/20 0.39
NAMPT P43490 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
SCHEMBL3314417 0.91 HTR2A (0.40) ROCK2ROCK1DDX3XPRMT3IMPDH2
SCHEMBL3314413 0.91 HTR2A (0.40) ROCK2ROCK1DDX3XPRMT3IMPDH2
SCHEMBL3316796 0.90 ROCK2 (0.54) ROCK2ROCK1AKT1PRMT3NAMPT
SCHEMBL3316792 0.90 ROCK2 (0.54) ROCK2ROCK1AKT1PRMT3NAMPT
SCHEMBL3319897 0.90 ROCK2 (0.51) ROCK2ROCK1DDX3XPRMT3IMPDH2
SCHEMBL3313905 0.88 ROCK2 (0.55) ROCK2ROCK1PRMT3
SCHEMBL3313669 0.88 ROCK2 (0.55) ROCK2ROCK1PRMT3
SCHEMBL3312007 0.88 ROCK2 (0.61) ROCK2ROCK1DDX3XAKT1PRMT3
SCHEMBL3311391 0.87 PRMT3 (0.43) ROCK2ROCK1PRMT3IMPDH2
SCHEMBL3311895 0.85 ROCK2 (0.49) ROCK2ROCK1PRMT3IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 US disclosed
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 US disclosed
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 US disclosed
EP-2114920-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-11 EP disclosed
WO-2008077552-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 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 (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-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives MYLK2, MYLK, MYLK3 ROCK2 6/4885ROCK1 5/4885DDX3X 3033/4885

“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.