Sugi Predict

Sugi Predict / Compounds / SCHEMBL745351

SCHEMBL745351

SCHEMBL745351

CCOc1ccc2c(=O)[nH]ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 1/20 0.54
▸ ROCK1 Q13464 12/20 0.52
▸ ROCK2 O75116 2/20 0.52
▸ PRKCD Q05655 2/20 0.52
▸ PRKACA P17612 1/20 0.52
▸ PRKG1 Q13976 1/20 0.52
▸ PKN1 Q16512 1/20 0.52
▸ PKN2 Q16513 1/20 0.52
▸ AAK1 Q2M2I8 1/20 0.52
▸ CDC42BPA Q5VT25 1/20 0.52
▸ Q6ZSR9 Q6ZSR9 1/20 0.52
▸ BMP2K Q9NSY1 1/20 0.52
▸ CDC42BPB Q9Y5S2 1/20 0.52
▸ HSD17B10 Q99714 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ESR2 Q92731 1/20 0.49
▸ PRKX P51817 1/20 0.48
▸ PRKCE Q02156 1/20 0.48
▸ PRKD1 Q15139 1/20 0.48
▸ PARP15 Q460N3 1/20 0.46

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
SCHEMBL374997 0.81 ROCK1 (0.56) MAP2K1ROCK1ROCK2PRKCDPRKACA
SCHEMBL1038440 0.81 MAP2K1 (0.52) MAP2K1ROCK1ROCK2PRKCDPRKACA
SCHEMBL5256175 0.80 MAP2K1 (0.48) MAP2K1ROCK1ROCK2PRKCDPRKACA
SCHEMBL1038918 0.78 ROCK1 (0.47) MAP2K1ROCK1ROCK2PRKCDPRKACA
SCHEMBL13423105 0.78 MAP2K1 (0.64) MAP2K1ROCK1ROCK2PRKCDPRKACA
SCHEMBL12851130 0.77 MAP2K1 (0.78) MAP2K1ROCK1ROCK2PRKCDPRKACA
SCHEMBL18417197 0.77 NQO1 (0.56) HSD17B10MAPTESR2KDM4EMEN1
SCHEMBL27871933 0.76 ROCK1 (0.51) MAP2K1ROCK1ROCK2PRKCDPRKACA
SCHEMBL1196091 0.76 LTA4H (0.55) HSD17B10MAPTESR2MEN1ALDH1A1
SCHEMBL8935619 0.76 MAP2K1 (0.61) MAP2K1ROCK1ROCK2PRKCDPRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796458-B2 Cyclohexylamine isoquinolone derivatives SANOFI (FR) 2014-08-05 — — US disclosed
US-8518874-B2 HCV inhibitors VIROBAY, INC. (US) 2013-08-27 — — US disclosed
US-8518874-B2 HCV inhibitors VIROBAY, INC. (US) 2013-08-27 — — US disclosed
US-8518874-B2 HCV inhibitors VIROBAY, INC. (US) 2013-08-27 — — US disclosed
US-8211897-B2 Inhibitors of cathepsin B VIROBAY, INC. (US) 2012-07-03 — — US disclosed
US-8211897-B2 Inhibitors of cathepsin B VIROBAY, INC. (US) 2012-07-03 — — US disclosed
US-8211897-B2 Inhibitors of cathepsin B VIROBAY, INC. (US) 2012-07-03 — — US disclosed
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 — — US disclosed
EP-2431379-A2 HCV inhibitors Virobay, Inc. (US) 2012-03-21 — — EP disclosed
EP-2431379-A2 HCV inhibitors Virobay, Inc. (US) 2012-03-21 — — EP disclosed
WO-2009100225-A1 INHIBITORS OF CATHEPSIN B VIROBAY, INC. (US) 2009-08-13 — — WO disclosed
EP-1906945-A4 HCV INHIBITORS VIROBAY INC (US) 2009-07-15 — — EP disclosed
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2009-04-09 — — US disclosed
US-20080242699-A1 Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase inhibitors; Hypotensive agents; 6-(4-Amino-cyclohexyloxy)-2-(4-methoxy-benzyl)-7-propyl-2H-isoquinolin-1-one SANOFI-AVENTIS (FR) 2008-10-02 — — US disclosed
EP-1906945-A2 HCV INHIBITORS Virobay, Inc. (US) 2008-04-09 — — EP disclosed
US-20070054864-A1 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections QUEST DIAGNOSTICS INVESTMENTS LLC 2007-03-08 — — US disclosed
US-20070054864-A1 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections QUEST DIAGNOSTICS INVESTMENTS LLC 2007-03-08 — — US disclosed
US-20070054864-A1 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections QUEST DIAGNOSTICS INVESTMENTS LLC 2007-03-08 — — US disclosed
WO-2007005838-A2 HCV INHIBITORS VIROBAY, INC. (US) 2007-01-11 — — WO disclosed
WO-2007005838-A2 HCV INHIBITORS VIROBAY, INC. (US) 2007-01-11 — — 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 (3 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-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives MYLK2, MYLK, RHOT2 MAP2K1 1916/4885ROCK1 8/4885ROCK2 10/4885
US-20080242699-A1 Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase inhibitors; Hypotensive agents; 6-(4-Amino-cyclohexyloxy)-2-(4-methoxy-benzyl)-7-propyl-2H-isoquinolin-1-one MYLK, MYLK2, ROCK1 MAP2K1 460/4885ROCK1 3/4885ROCK2 5/4885
US-20070054864-A1 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections HAVCR2, EIF2AK2, GTF3C1 MAP2K1 4253/4885ROCK1 1677/4885ROCK2 2016/4885

“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.