SCHEMBL3317517

SCHEMBL3317517

CC(C)CCN1CCCC(Sc2cc3ccncc3cc2Cl)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.46
ROCK1 Q13464 7/20 0.46
AKT1 P31749 1/20 0.35
PDE2A O00408 1/20 0.33
NAMPT P43490 1/20 0.33
VCP P55072 1/20 0.33
CCR4 P51679 2/20 0.32
CCR2 P41597 1/20 0.32

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
SCHEMBL3313242 0.94 ROCK2 (0.41) ROCK2ROCK1AKT1NAMPTCCR2
SCHEMBL3313667 0.91 AKT1 (0.40) ROCK2ROCK1AKT1PDE2AVCP
SCHEMBL3315597 0.90 KDM2B (0.39) ROCK2ROCK1
SCHEMBL3313689 0.89 ROCK2 (0.40) ROCK2ROCK1AKT1NAMPT
SCHEMBL3313752 0.88 ROCK2 (0.37) ROCK2ROCK1PDE2A
SCHEMBL3318559 0.88 ROCK2 (0.39) ROCK2ROCK1PDE2AVCPCCR2
SCHEMBL3314188 0.85 ADORA2A (0.38) ROCK2ROCK1PDE2ACCR4CCR2
SCHEMBL3318778 0.85 ROCK2 (0.48) ROCK2ROCK1PDE2ACCR2
SCHEMBL3312634 0.85 AKT1 (0.43) ROCK2ROCK1AKT1NAMPTVCP
SCHEMBL3313193 0.85 ROCK2 (0.39) ROCK2ROCK1CCR2

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 5/4885AKT1 124/4885

“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.