SCHEMBL3315288

SCHEMBL3315288

FC(F)(F)CCN1CC(Nc2ccc3cnccc3c2)C1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 16/20 0.42
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 1/20 0.38
ESR1 P03372 1/20 0.37
KCNH2 Q12809 1/20 0.37
IMPDH2 P12268 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
SCHEMBL3313343 0.91 ROCK2 (0.43) PRMT3ROCK2ROCK1
SCHEMBL3313336 0.91 ROCK2 (0.43) PRMT3ROCK2ROCK1
SCHEMBL3319573 0.89 ROCK2 (0.49) PRMT3ROCK2ROCK1
SCHEMBL3319577 0.89 ROCK2 (0.49) PRMT3ROCK2ROCK1
SCHEMBL3319729 0.88 ROCK2 (0.43) PRMT3ROCK2ROCK1
SCHEMBL3311895 0.84 ROCK2 (0.49) PRMT3ROCK2ROCK1IMPDH2
SCHEMBL3313655 0.82 ROCK2 (0.43) PRMT3ROCK2ROCK1IMPDH2
SCHEMBL3319897 0.82 ROCK2 (0.51) PRMT3ROCK2ROCK1IMPDH2
SCHEMBL3311391 0.81 PRMT3 (0.43) PRMT3ROCK2ROCK1IMPDH2
SCHEMBL3317528 0.80 HIF1A (0.47) ROCK2ROCK1

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 PRMT3 716/4885ROCK2 6/4885ROCK1 5/4885

“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.