SCHEMBL1571968

SCHEMBL1571968

CC(C)(C)OC(=O)NC1CCC(Nc2ccc3cnccc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 8/20 0.52
SMYD3 Q9H7B4 2/20 0.47
IMPDH2 P12268 4/20 0.44
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
HPGDS O60760 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
LCK P06239 1/20 0.41
CSF1R P07333 1/20 0.41
KDR P35968 1/20 0.41
MAPK14 Q16539 1/20 0.41
SYK P43405 1/20 0.41

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
SCHEMBL31206126 0.85 KDM1A (0.51) KDM1AMAOBCKS1BSKP1SKP2
SCHEMBL31206091 0.83 KDM1A (0.44) KDM1AMAOBCKS1BSKP1SKP2
SCHEMBL29862471 0.83 ALDH1A1 (0.62) SYK
SCHEMBL3313868 0.83 ALDH1A1 (0.62) SYK
SCHEMBL31206061 0.80 NAMPT (0.52) KDM1AMAOBCKS1BSKP1SKP2
SCHEMBL567640 0.79 NAMPT (0.51) CKS1BSKP1SKP2
SCHEMBL5407173 0.79 ROCK2 (0.58) SYK
SCHEMBL10135596 0.78 MCHR1 (0.50)
Trifluoroacetic Acid SCHEMBL3318885 0.78 ALDH1A1 (0.56) SYK
SCHEMBL23453276 0.77 IMPDH2 (0.50) PRMT3IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125744-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE AND ISOQUINOLINONE DERIVATIVES SANOFI AVENTIS (FR) 2011-04-13 EP disclosed
EP-2125744-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE AND ISOQUINOLINONE DERIVATIVES SANOFI AVENTIS (FR) 2011-04-13 EP disclosed
US-20100056568-A1 Cycloalkylamine substituted isoquinolone and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-03-04 US disclosed
US-20100056568-A1 Cycloalkylamine substituted isoquinolone and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-03-04 US disclosed
US-20100056568-A1 Cycloalkylamine substituted isoquinolone and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-03-04 US disclosed
EP-2125744-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE AND ISOQUINOLINONE DERIVATIVES Sanofi-Aventis (FR) 2009-12-02 EP disclosed
WO-2008077553-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE 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-20100056568-A1 Cycloalkylamine substituted isoquinolone and isoquinolinone derivatives MYLK2, MYLK, MYLK3 PRMT3 917/4885SMYD3 2923/4885IMPDH2 797/4885

“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.