SCHEMBL4527153

SCHEMBL4527153

CC(C)(C)N(C(=O)O)[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ccncc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 2/20 0.44
PORCN Q9H237 2/20 0.41
ROCK2 O75116 4/20 0.41
ROCK1 Q13464 4/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSF Q9UBX1 1/20 0.41
RPS6KA5 O75582 1/20 0.40
RPS6KA4 O75676 1/20 0.40
PRKACA P17612 1/20 0.40
MAPK1 P28482 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
IRAK1 P51617 1/20 0.40
PRKX P51817 1/20 0.40
PRKG1 Q13976 1/20 0.40
PKN2 Q16513 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
SGK2 Q9HBY8 1/20 0.40

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
SCHEMBL4530261 1.00 WNT3A (0.44) WNT3APORCNROCK2ROCK1CTSL
SCHEMBL4525931 0.86 ROCK2 (0.53) ROCK2ROCK1CTSLCTSBCTSF
SCHEMBL4525453 0.86 ROCK2 (0.53) ROCK2ROCK1CTSLCTSBCTSF
SCHEMBL4525533 0.81 WNT3A (0.52) WNT3AROCK2ROCK1
SCHEMBL4522545 0.81 WNT3A (0.52) WNT3AROCK2ROCK1
SCHEMBL4532317 0.79 GPR142 (0.57) WNT3AROCK2ROCK1RPS6KA5RPS6KA4
SCHEMBL4534312 0.79 GPR142 (0.57) WNT3AROCK2ROCK1RPS6KA5RPS6KA4
SCHEMBL2686192 0.78 NOX1 (0.55) ROCK1PRKACA
SCHEMBL6717162 0.72 POLB (0.54)
SCHEMBL4520956 0.72 LMNA (0.44) ROCK2ROCK1

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 WNT3A 3461/4885PORCN 4455/4885ROCK2 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.