SCHEMBL4516232

SCHEMBL4516232

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.53
ROCK1 Q13464 12/20 0.53
ROCK2 O75116 9/20 0.53
TAAR1 Q96RJ0 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
PSEN1 P49768 3/20 0.48
PSEN2 P49810 3/20 0.48
APH1B Q8WW43 3/20 0.48
NCSTN Q92542 3/20 0.48
APH1A Q96BI3 3/20 0.48
PSENEN Q9NZ42 3/20 0.48
POLB P06746 1/20 0.47
STAT3 P40763 1/20 0.47
RPS6KA5 O75582 3/20 0.45
AKT1 P31749 3/20 0.45
GSK3B P49841 3/20 0.45
PRKCD Q05655 3/20 0.45
PRKG2 Q13237 3/20 0.45

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 0.85 ROCK2 (0.62) AAK1ROCK1ROCK2TAAR1SMN1; SMN2
SCHEMBL4527170 0.85 ROCK2 (0.62) AAK1ROCK1ROCK2TAAR1SMN1; SMN2
SCHEMBL4531698 0.85 ROCK2 (0.62) AAK1ROCK1ROCK2TAAR1SMN1; SMN2
SCHEMBL4529666 0.83 ROCK2 (0.58) AAK1ROCK1ROCK2TAAR1SMN1; SMN2
SCHEMBL4529522 0.83 ROCK2 (0.58) AAK1ROCK1ROCK2TAAR1SMN1; SMN2
SCHEMBL27723709 0.83 ROCK2 (0.58) AAK1ROCK1ROCK2TAAR1SMN1; SMN2
SCHEMBL22036153 0.77 ROCK2 (0.54) AAK1ROCK1ROCK2TAAR1SMN1; SMN2
SCHEMBL10260353 0.76 ROCK2 (0.70) AAK1ROCK1ROCK2TAAR1RPS6KA5
SCHEMBL4534351 0.76 ROCK2 (0.46) AAK1ROCK1ROCK2TAAR1SMN1; SMN2
SCHEMBL2802584 0.76 ROCK2 (0.64) AAK1ROCK1ROCK2TAAR1RPS6KA5

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-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

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 AAK1 736/4885ROCK1 1/4885ROCK2 2/4885

“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.