SCHEMBL4534345

SCHEMBL4534345

N[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.72
ROCK1 Q13464 5/20 0.62
AAK1 Q2M2I8 1/20 0.56
GPR142 Q7Z601 3/20 0.52
CDC7 O00311 1/20 0.51
MAP4K4 O95819 1/20 0.51
PIM1 P11309 1/20 0.51
CDK2 P24941 1/20 0.51
GSK3B P49841 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
CIT O14578 3/20 0.50
AKT1 P31749 1/20 0.49
NAMPT P43490 1/20 0.47

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
Hydrochloric Acid SCHEMBL31651005 0.99 ROCK2 (0.70) ROCK2ROCK1AAK1GPR142CDC7
SCHEMBL4523463 0.85 GPR142 (0.64) ROCK2ROCK1AAK1GPR142CIT
SCHEMBL4521918 0.85 GPR142 (0.64) ROCK2ROCK1AAK1GPR142CIT
SCHEMBL10260826 0.85 ROCK2 (0.64) ROCK2ROCK1AAK1GPR142GSK3B
SCHEMBL2802593 0.85 ROCK2 (0.64) ROCK2ROCK1AAK1GPR142GSK3B
SCHEMBL2802584 0.85 ROCK2 (0.64) ROCK2ROCK1AAK1GPR142GSK3B
Hydrochloric Acid SCHEMBL4525075 0.84 ROCK2 (0.62) ROCK2ROCK1AAK1GPR142GSK3B
SCHEMBL4525156 0.82 ROCK2 (0.63) ROCK2ROCK1CIT
SCHEMBL4525577 0.82 ROCK2 (0.77) ROCK2ROCK1CDC7MAP4K4PIM1
SCHEMBL27723706 0.82 ROCK2 (0.77) ROCK2ROCK1CDC7MAP4K4PIM1

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-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-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
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
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 WO 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 1/4885AAK1 736/4885

“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.