SCHEMBL3812995

SCHEMBL3812995

COc1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)cc2)c1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.76
ROCK1 Q13464 9/20 0.76
PRKACA P17612 6/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C9 P11712 1/20 0.72
GSK3A P49840 1/20 0.72
GSK3B P49841 1/20 0.72
PRKX P51817 1/20 0.72
PRKCQ Q04759 1/20 0.72
CLK4 Q9HAZ1 1/20 0.72
PRKACG P22612 5/20 0.69
PRKACB P22694 5/20 0.69

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
SCHEMBL18685145 0.87 ROCK2 (0.81) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL15967941 0.86 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL15968065 0.86 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL3246002 0.86 ROCK2 (0.72) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL15968010 0.86 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL15968147 0.85 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL3249431 0.85 ROCK2 (1.00) ROCK2ROCK1CYP2C9
SCHEMBL18685098 0.84 ROCK2 (0.80) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL17439838 0.84 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKACGPRKACB
SCHEMBL17439778 0.84 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKACGPRKACB

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
EP-1713775-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-12 EP claimed
US-20080275062-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-11-06 US claimed
EP-1713775-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP claimed
WO-2005074643-A2 BENZAMIDE COMPOUNDS USEFUL AS ROCK INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 WO claimed
EP-1713775-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-12 EP disclosed
US-20080275062-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-11-06 US disclosed
US-20080275062-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-11-06 US disclosed
US-20080275062-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-11-06 US disclosed
EP-1713775-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP disclosed
WO-2005074643-A2 BENZAMIDE COMPOUNDS USEFUL AS ROCK INHIBITORS 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-20080275062-A1 Chemical Compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, CBR3 ROCK2 3638/4885ROCK1 2695/4885PRKACA 3762/4885

“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.