SCHEMBL4919982

SCHEMBL4919982

COc1cccc(CNC(=O)c2ccc(-c3ccncc3)s2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 14/20 0.69
ROCK2 O75116 12/20 0.69
PRKACA P17612 4/20 0.69
PRKX P51817 4/20 0.69
PRKCQ Q04759 3/20 0.69
GSK3A P49840 3/20 0.69
GSK3B P49841 3/20 0.69
CLK4 Q9HAZ1 3/20 0.69
CYP3A4 P08684 2/20 0.69
CYP2D6 P10635 2/20 0.69
CYP2C9 P11712 2/20 0.69
AURKA O14965 3/20 0.66
GRK5 P34947 2/20 0.65
CHEK1 O14757 2/20 0.62
MAP4K4 O95819 2/20 0.62
RPS6KA3 P51812 2/20 0.62
AURKB Q96GD4 2/20 0.62
CSNK1A1 P48729 1/20 0.62
CDK8 P49336 1/20 0.62
ACVR1 Q04771 1/20 0.62

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
SCHEMBL4932478 0.89 ROCK1 (0.60) ROCK1ROCK2PRKACAPRKXPRKCQ
SCHEMBL4928076 0.88 ESRRG (0.58) ROCK1ROCK2PRKACAPRKXPRKCQ
SCHEMBL4919273 0.87 ROCK1 (0.58) ROCK1ROCK2PRKACAPRKXPRKCQ
SCHEMBL4928319 0.86 ROCK1 (0.70) ROCK1ROCK2PRKACAPRKXPRKCQ
SCHEMBL4928094 0.85 ROCK2 (0.68) ROCK1ROCK2PRKACA
SCHEMBL4928176 0.85 ROCK2 (0.57) ROCK1ROCK2PRKACAPRKXPRKCQ
SCHEMBL12495978 0.84 EGLN2 (0.56) ROCK1ROCK2PRKACAPRKXPRKCQ
SCHEMBL4930353 0.84 ROCK1 (0.67) ROCK1ROCK2PRKACAPRKXPRKCQ
SCHEMBL14100093 0.83 ROCK1 (0.54) ROCK1ROCK2PRKACAPRKXPRKCQ
SCHEMBL4930312 0.83 ESRRG (0.74) ROCK1ROCK2PRKACAPRKXGSK3A

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
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US claimed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 EP claimed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP claimed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 WO claimed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 EP disclosed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP disclosed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 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-20080293716-A1 Chemical Compounds CYP11B2, CYP11B1, REN ROCK1 968/4885ROCK2 1488/4885PRKACA 3211/4885

“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.