SCHEMBL1705031

SCHEMBL1705031

N[C@H]1CC[C@@H](Oc2ccc3cnccc3c2-c2cccnc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.41
MKNK2 Q9HBH9 4/20 0.41
PDE4A P27815 1/20 0.39
IKBKB O14920 4/20 0.38
CHUK O15111 4/20 0.38
ROCK1 Q13464 2/20 0.38
LCK P06239 1/20 0.38
PIM1 P11309 3/20 0.38
PIM2 Q9P1W9 2/20 0.38
PIM3 Q86V86 1/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B1 P14061 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 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
SCHEMBL1705030 1.00 MKNK1 (0.41) MKNK1MKNK2PDE4AIKBKBCHUK
SCHEMBL1705173 0.92 IKBKB (0.44) MKNK1MKNK2IKBKBCHUKROCK1
SCHEMBL1705174 0.92 IKBKB (0.44) MKNK1MKNK2IKBKBCHUKROCK1
SCHEMBL1705287 0.89 PIM1 (0.39) PDE4AIKBKBCHUKROCK1LCK
SCHEMBL1705286 0.89 PIM1 (0.39) PDE4AIKBKBCHUKROCK1LCK
SCHEMBL1704996 0.84 PRKCZ (0.40) PDE4AIKBKBCHUKROCK1LCK
SCHEMBL1704997 0.84 PRKCZ (0.40) PDE4AIKBKBCHUKROCK1LCK
SCHEMBL1705737 0.82 FEN1 (0.39) PDE4AIKBKBCHUKROCK1LCK
SCHEMBL1705736 0.82 FEN1 (0.39) PDE4AIKBKBCHUKROCK1LCK
SCHEMBL1705188 0.81 PIM1 (0.40) IKBKBCHUKROCK1LCKPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8710228-B2 Cycloalkylamine substituted isoquinoline derivatives SANOFI (FR) 2014-04-29 US disclosed
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
US-20100081671-A1 Cycloalkylamine substituted isoquinoline derivatives SANOFI-AVENTIS (FR) 2010-04-01 US disclosed
US-20100081671-A1 Cycloalkylamine substituted isoquinoline derivatives SANOFI-AVENTIS (FR) 2010-04-01 US disclosed
EP-2125746-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES Sanofi-Aventis (FR) 2009-12-02 EP disclosed
WO-2008077554-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE 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-20100081671-A1 Cycloalkylamine substituted isoquinoline derivatives MYLK2, MYLK, MYLK3 MKNK1 280/4885MKNK2 203/4885PDE4A 339/4885

“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.