SCHEMBL3884595

SCHEMBL3884595

CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(C#N)cc2)CC(=O)N1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 18/20 0.79
RPS6KA1 Q15418 9/20 0.79
RPS6KB1 P23443 8/20 0.79
GRK2 P25098 4/20 0.56
GRK5 P34947 2/20 0.56
ROCK2 O75116 1/20 0.56
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL3885381 0.88 ROCK1 (1.00) ROCK1RPS6KA1RPS6KB1GRK2GRK5
SCHEMBL3884118 0.88 ROCK1 (0.84) ROCK1RPS6KA1RPS6KB1GRK2GRK5
SCHEMBL3888162 0.86 ROCK1 (0.80) ROCK1RPS6KA1RPS6KB1GRK2GRK5
SCHEMBL3883513 0.86 ROCK1 (1.00) ROCK1RPS6KA1RPS6KB1GRK2GRK5
Gsk-299115A SCHEMBL3888838 0.85 ROCK1 (1.00) ROCK1RPS6KA1RPS6KB1GRK2GRK5
SCHEMBL3864374 0.85 ROCK1 (0.77) ROCK1RPS6KA1RPS6KB1GRK2GRK5
SCHEMBL3887940 0.85 ROCK1 (0.77) ROCK1RPS6KA1RPS6KB1GRK2GRK5
SCHEMBL2566641 0.85 GRK2 (0.78) ROCK1RPS6KA1RPS6KB1GRK2GRK5
Gsk-270822A SCHEMBL3860469 0.85 ROCK1 (1.00) ROCK1RPS6KA1RPS6KB1GRK2GRK5
SCHEMBL3885788 0.83 ROCK1 (0.77) ROCK1RPS6KA1RPS6KB1GRK2GRK5

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592357-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US claimed
EP-1718638-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-22 EP claimed
US-20080058384-A1 Novel Compounds GLAXOSMITHKLINE LLC 2008-03-06 US claimed
EP-1718638-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP claimed
WO-2005082890-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 WO claimed
US-7592357-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-7592357-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-7592357-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
EP-1718638-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-22 EP disclosed
US-20080058384-A1 Novel Compounds GLAXOSMITHKLINE LLC 2008-03-06 US disclosed
US-20080058384-A1 Novel Compounds GLAXOSMITHKLINE LLC 2008-03-06 US disclosed
US-20080058384-A1 Novel Compounds GLAXOSMITHKLINE LLC 2008-03-06 US disclosed
EP-1718638-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082890-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 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-20080058384-A1 Novel Compounds ARHGDIB, TNK2, ROCK2 ROCK1 6/4885RPS6KA1 304/4885RPS6KB1 195/4885

“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.