SCHEMBL1551744

SCHEMBL1551744

Cc1cc2c(OCc3ccccc3)nccc2cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
ATP4A P20648 1/20 0.41
ATP4B P51164 1/20 0.41
TLR8 Q9NR97 1/20 0.40
TRPA1 O75762 2/20 0.39
MCL1 Q07820 1/20 0.39
BAK1 Q16611 1/20 0.39
HTT P42858 2/20 0.39
PDE5A O76074 1/20 0.39
STAT3 P40763 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM4 Q14833 2/20 0.39
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
MAOA P21397 1/20 0.38
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
PRMT5 O14744 1/20 0.37
MAPK1 P28482 2/20 0.37

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
SCHEMBL1412133 0.84 GRM4 (0.41) L3MBTL1ATP4AATP4BTRPA1MCL1
SCHEMBL12211782 0.80 HTR6 (0.43) GRM4MAOAPRMT5HTR6
SCHEMBL2239764 0.78 TRPA1 (0.50) TRPA1PDE5ASMN1; SMN2DYRK1AMAPK1
SCHEMBL3213390 0.75 L3MBTL1 (0.39) L3MBTL1TLR8MAOAMRGPRX4MAPT
SCHEMBL4275782 0.75 PDE5A (0.51) L3MBTL1ATP4AATP4BTRPA1PDE5A
SCHEMBL1572366 0.73 LMNA (0.47) L3MBTL1HTTPDE5ASMN1; SMN2GRM4
SCHEMBL15476305 0.73 LMNA (0.47) L3MBTL1HTTPDE5ASMN1; SMN2PLAU
SCHEMBL12715913 0.73 PDE5A (0.41) L3MBTL1ATP4AATP4BTLR8HTT
SCHEMBL7681220 0.73 L3MBTL1 (0.46) L3MBTL1ATP4AATP4BTLR8HTT
SCHEMBL30417980 0.73 L3MBTL1 (0.46) L3MBTL1ATP4AATP4BTLR8HTT

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303846-B1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI SA (FR) 2015-04-29 EP disclosed
EP-2303846-B1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI SA (FR) 2015-04-29 EP disclosed
US-8710077-B2 Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-04-29 US disclosed
US-8710077-B2 Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-04-29 US disclosed
US-8710077-B2 Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-04-29 US disclosed
US-8541449-B2 Substituted isoquinolines and isoquinolinones as Rho kinase inhibitors SANOFI (FR) 2013-09-24 US disclosed
US-8541449-B2 Substituted isoquinolines and isoquinolinones as Rho kinase inhibitors SANOFI (FR) 2013-09-24 US disclosed
US-8541449-B2 Substituted isoquinolines and isoquinolinones as Rho kinase inhibitors SANOFI (FR) 2013-09-24 US disclosed
EP-2313374-B1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI SA (FR) 2013-09-18 EP disclosed
EP-2303845-B1 Bi-and polycyclic substituted isoquinoline and isoquinoline derivatives as rho kinase inhibitors SANOFI SA (FR) 2013-09-18 EP disclosed
US-20100056553-A1 Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-03-04 US disclosed
WO-2009156092-A2 BI- AND POLYCYCLIC SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-12-30 WO disclosed
WO-2009156100-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI-AVENTIS (FR) 2009-12-30 WO disclosed
WO-2009156100-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI-AVENTIS (FR) 2009-12-30 WO disclosed
WO-2009156092-A2 BI- AND POLYCYCLIC SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-12-30 WO disclosed
WO-2009156099-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2009-12-30 WO disclosed
WO-2009156099-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2009-12-30 WO disclosed
EP-2102164-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES Sanofi-Aventis (FR) 2009-09-23 EP disclosed
WO-2008077556-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
WO-2008077556-A1 CYCLOALKYLAMINE 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-20100056553-A1 Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives MYLK2, MYLK, MYLK3 L3MBTL1 3353/4885ATP4A 1058/4885ATP4B 2300/4885

“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.