SCHEMBL4528048

SCHEMBL4528048

COc1ccccc1C(C(=O)Nc1ccc(-c2ccncc2)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.45
ROCK1 Q13464 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AAK1 Q2M2I8 2/20 0.41
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
RAB9A P51151 1/20 0.39
HTR1D P28221 3/20 0.39
HTR1B P28222 3/20 0.39
HTR1A P08908 1/20 0.39
JAK2 O60674 1/20 0.38

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
SCHEMBL4522592 0.86 AAK1 (0.41) ROCK2ROCK1SMN1; SMN2LMNAAAK1
SCHEMBL4525125 0.86 HDAC4 (0.47) ROCK2ROCK1SMN1; SMN2LMNAMEN1
SCHEMBL4532143 0.85 ROCK2 (0.48) ROCK2ROCK1SMN1; SMN2LMNAAAK1
SCHEMBL4519493 0.85 ROCK2 (0.48) ROCK2ROCK1SMN1; SMN2LMNAAAK1
SCHEMBL4517728 0.80 MMP2 (0.43) ROCK2ROCK1SMN1; SMN2MAPTMEN1
SCHEMBL4528949 0.79 AAK1 (0.42) ROCK2ROCK1MAPTLMNAAAK1
SCHEMBL4527223 0.78 AAK1 (0.53) ROCK2ROCK1SMN1; SMN2MAPTLMNA
SCHEMBL4630929 0.77 ROCK2 (0.57) ROCK2ROCK1SMN1; SMN2MAPTLMNA
SCHEMBL4525931 0.76 ROCK2 (0.53) ROCK2ROCK1SMN1; SMN2LMNAMEN1
SCHEMBL4525453 0.76 ROCK2 (0.53) ROCK2ROCK1SMN1; SMN2LMNAMEN1

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 2 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-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 ROCK2 2/4885ROCK1 1/4885SMN1; SMN2 3046/4885

“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.