SCHEMBL4928207

SCHEMBL4928207

C[C@@H](NC(=O)c1ccc(-c2ccncc2)s1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.73
PRKACA P17612 3/20 0.73
GSK3A P49840 3/20 0.73
GSK3B P49841 3/20 0.73
RPS6KA3 P51812 3/20 0.73
AURKB Q96GD4 3/20 0.73
CLK4 Q9HAZ1 3/20 0.73
MAP4K4 O95819 2/20 0.73
PRKX P51817 2/20 0.73
CHEK1 O14757 1/20 0.73
AURKA O14965 1/20 0.73
GRK5 P34947 1/20 0.73
CSNK1A1 P48729 1/20 0.73
CDK8 P49336 1/20 0.73
PRKCQ Q04759 1/20 0.73
ACVR1 Q04771 1/20 0.73
HDAC1 Q13547 6/20 0.63
HDAC3 O15379 5/20 0.63
HDAC4 P56524 5/20 0.63
ROCK2 O75116 3/20 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
SCHEMBL4919806 1.00 ROCK1 (0.73) ROCK1PRKACAGSK3AGSK3BRPS6KA3
SCHEMBL4923395 0.85 ROCK1 (1.00) ROCK1PRKACAGSK3AGSK3BRPS6KA3
SCHEMBL4929608 0.85 ROCK1 (1.00) ROCK1PRKACAGSK3AGSK3BRPS6KA3
SCHEMBL4929435 0.84 HDAC1 (0.69) ROCK1PRKACAGSK3AGSK3BRPS6KA3
SCHEMBL14007253 0.81 HDAC1 (0.61) ROCK1PRKACAGSK3AGSK3BRPS6KA3
SCHEMBL14007225 0.81 HDAC1 (0.61) ROCK1PRKACAGSK3AGSK3BRPS6KA3
SCHEMBL12423603 0.79 HDAC3 (0.50) ROCK1PRKACAGSK3AGSK3BRPS6KA3
SCHEMBL4929904 0.78 HDAC3 (0.57) ROCK1PRKACAGSK3AGSK3BRPS6KA3
SCHEMBL4924499 0.78 HDAC3 (0.57) ROCK1PRKACAGSK3AGSK3BRPS6KA3
SCHEMBL8269793 0.78 HDAC3 (1.00) HDAC1HDAC3HDAC4HDAC6ALDH1A1

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 968/4885PRKACA 3211/4885GSK3A 2121/4885

“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.