SCHEMBL10260376

SCHEMBL10260376

CN[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.58
ROCK1 Q13464 7/20 0.58
GPR142 Q7Z601 7/20 0.52
AAK1 Q2M2I8 1/20 0.51
PSMB8 P28062 2/20 0.49
PSMB11 A5LHX3 1/20 0.49
PSMD11 O00231 1/20 0.49
PSMD12 O00232 1/20 0.49
PSMD14 O00487 1/20 0.49
PSMA7 O14818 1/20 0.49
PSMD3 O43242 1/20 0.49
PSMC3 P17980 1/20 0.49
PSMB1 P20618 1/20 0.49
PSMA1 P25786 1/20 0.49
PSMA2 P25787 1/20 0.49
PSMA3 P25788 1/20 0.49
PSMA4 P25789 1/20 0.49
PSMB9 P28065 1/20 0.49
PSMA5 P28066 1/20 0.49
PSMB4 P28070 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
SCHEMBL27744390 1.00 ROCK2 (0.58) ROCK2ROCK1GPR142AAK1PSMB8
SCHEMBL4522441 1.00 ROCK2 (0.58) ROCK2ROCK1GPR142AAK1PSMB8
SCHEMBL10260922 0.85 SMN1; SMN2 (0.65) ROCK2ROCK1GPR142AAK1PSMB8
SCHEMBL16254380 0.85 CYP2D6 (0.54) GPR142MAPK1SMN1; SMN2
SCHEMBL13478043 0.84 MEN1 (0.54) GPR142MAPK1SMN1; SMN2
SCHEMBL4523811 0.83 ROCK2 (0.62) ROCK2ROCK1GPR142AAK1RPS6KA5
SCHEMBL4526393 0.83 ROCK2 (0.62) ROCK2ROCK1GPR142AAK1RPS6KA5
SCHEMBL27723735 0.83 ROCK2 (0.62) ROCK2ROCK1GPR142AAK1RPS6KA5
SCHEMBL10260920 0.82 ROCK2 (0.58) ROCK2ROCK1AAK1TAAR1RPS6KA5
SCHEMBL10259979 0.82 ROCK2 (0.58) ROCK2ROCK1AAK1TAAR1RPS6KA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
CN-101253152-A Amide derivatives as ROCK inhibitors ASTELLAS PHARMA INC (JP) 2008-08-27 CN disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA ROCK2 2/4885ROCK1 1/4885GPR142 3166/4885

“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.