SCHEMBL4527170

SCHEMBL4527170

N[C@@H](C(=O)Nc1ccc(-c2ccncc2)cc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.62
ROCK1 Q13464 10/20 0.62
AAK1 Q2M2I8 2/20 0.57
TAAR1 Q96RJ0 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
PSEN1 P49768 3/20 0.51
PSEN2 P49810 3/20 0.51
APH1B Q8WW43 3/20 0.51
NCSTN Q92542 3/20 0.51
APH1A Q96BI3 3/20 0.51
PSENEN Q9NZ42 3/20 0.51
BAZ1A Q9NRL2 1/20 0.51
POLB P06746 1/20 0.50
STAT3 P40763 1/20 0.50
RPS6KA5 O75582 2/20 0.48
AKT1 P31749 2/20 0.48
GSK3B P49841 2/20 0.48
NEK4 P51957 2/20 0.48

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
SCHEMBL27744413 1.00 ROCK2 (0.62) ROCK2ROCK1AAK1TAAR1SMN1; SMN2
SCHEMBL4531698 1.00 ROCK2 (0.62) ROCK2ROCK1AAK1TAAR1SMN1; SMN2
SCHEMBL5007790 0.91 ROCK2 (0.64) ROCK2ROCK1AAK1TAAR1SMN1; SMN2
SCHEMBL4535891 0.86 AAK1 (0.54) ROCK2ROCK1AAK1TAAR1SMN1; SMN2
SCHEMBL27744448 0.86 AAK1 (0.54) ROCK2ROCK1AAK1TAAR1SMN1; SMN2
SCHEMBL4516232 0.85 AAK1 (0.53) ROCK2ROCK1AAK1TAAR1SMN1; SMN2
SCHEMBL4529666 0.84 ROCK2 (0.58) ROCK2ROCK1AAK1TAAR1SMN1; SMN2
SCHEMBL27723709 0.84 ROCK2 (0.58) ROCK2ROCK1AAK1TAAR1SMN1; SMN2
SCHEMBL4529522 0.84 ROCK2 (0.58) ROCK2ROCK1AAK1TAAR1SMN1; SMN2
SCHEMBL19074543 0.82 POLB (0.66) ROCK2ROCK1TAAR1SMN1; SMN2LMNA

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 9 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
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.