SCHEMBL1704997

SCHEMBL1704997

N[C@H]1CC[C@@H](Oc2ccc3cnccc3c2-c2ccsc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.40
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
CYP3A4 P08684 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
MERTK Q12866 1/20 0.33
DRD1 P21728 1/20 0.33
IKBKB O14920 5/20 0.33
CHUK O15111 4/20 0.33
ROCK1 Q13464 3/20 0.33
LCK P06239 2/20 0.33
PDE4A P27815 1/20 0.32
CACNA2D1 P54289 2/20 0.32
FEN1 P39748 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 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
SCHEMBL1704996 1.00 PRKCZ (0.40) PRKCZPIM1PIM3PIM2CYP3A4
SCHEMBL1705287 0.89 PIM1 (0.39) PRKCZPIM1PIM3PIM2DRD1
SCHEMBL1705286 0.89 PIM1 (0.39) PRKCZPIM1PIM3PIM2DRD1
SCHEMBL1705174 0.85 IKBKB (0.44) PRKCZPIM1PIM3PIM2DRD1
SCHEMBL1705173 0.85 IKBKB (0.44) PRKCZPIM1PIM3PIM2DRD1
SCHEMBL1705030 0.84 MKNK1 (0.41) PIM1PIM3PIM2CYP3A4CYP2C9
SCHEMBL1705031 0.84 MKNK1 (0.41) PIM1PIM3PIM2CYP3A4CYP2C9
SCHEMBL1705188 0.81 PIM1 (0.40) PRKCZPIM1PIM3PIM2CYP3A4
SCHEMBL1705187 0.81 PIM1 (0.40) PRKCZPIM1PIM3PIM2CYP3A4
SCHEMBL1705736 0.78 FEN1 (0.39) PIM1PIM3PIM2CYP2A6MERTK

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 9 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
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

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 PRKCZ 36/4885PIM1 2573/4885PIM3 2399/4885

“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.