SCHEMBL1705231

SCHEMBL1705231

NC(Cc1cnn(-c2ccc(F)cc2)c1)C1CCC(Oc2ccc3cnccc3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.40
PRKCZ Q05513 1/20 0.39
ROCK1 Q13464 3/20 0.39
ROCK2 O75116 1/20 0.39
DPP4 P27487 6/20 0.36
DPP8 Q6V1X1 6/20 0.36
DPP9 Q86TI2 6/20 0.36
DPP7 Q9UHL4 6/20 0.36
MPO P05164 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
AXL P30530 1/20 0.33
DDX3X O00571 1/20 0.32
PDE4A P27815 1/20 0.32
CYP2D6 P10635 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL1705204 0.81 IKBKB (0.40) IKBKBPRKCZROCK1ROCK2MPO
SCHEMBL1704998 0.79 ROCK1 (0.54) IKBKBPRKCZROCK1ROCK2HRH3
SCHEMBL1705707 0.79 ROCK1 (0.54) IKBKBPRKCZROCK1ROCK2HRH3
SCHEMBL1705192 0.79 ROCK1 (0.54) IKBKBPRKCZROCK1ROCK2HRH3
SCHEMBL1705658 0.73 IKBKB (0.51) IKBKBPRKCZROCK1ROCK2HRH3
SCHEMBL1705297 0.67 IKBKB (0.52) IKBKBPRKCZROCK1ROCK2HRH3
SCHEMBL1705677 0.67 IKBKB (0.52) IKBKBPRKCZROCK1ROCK2HRH3
SCHEMBL1705017 0.67 ROCK1 (0.46) IKBKBPRKCZROCK1ROCK2HRH3
SCHEMBL1705322 0.67 IKBKB (0.63) IKBKBPRKCZROCK1ROCK2
SCHEMBL1705706 0.67 IKBKB (0.63) IKBKBPRKCZROCK1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710228-B2 Cycloalkylamine substituted isoquinoline derivatives SANOFI (FR) 2014-04-29 US claimed
EP-2125746-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES SANOFI SA (FR) 2012-04-18 EP claimed
US-8710228-B2 Cycloalkylamine substituted isoquinoline derivatives SANOFI (FR) 2014-04-29 US disclosed
EP-2125746-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES SANOFI SA (FR) 2012-04-18 EP disclosed
US-20100081671-A1 Cycloalkylamine substituted isoquinoline derivatives SANOFI-AVENTIS (FR) 2010-04-01 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-20100081671-A1 Cycloalkylamine substituted isoquinoline derivatives MYLK2, MYLK, MYLK3 IKBKB 1991/4885PRKCZ 36/4885ROCK1 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.