SCHEMBL4522545

SCHEMBL4522545

CC(C)(C)N(C(=O)O)[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ccncc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 11/20 0.52
PTPN1 P18031 2/20 0.41
PTPN2 P17706 1/20 0.41
ROCK2 O75116 3/20 0.41
ROCK1 Q13464 3/20 0.41
HDAC8 Q9BY41 2/20 0.39
GPR142 Q7Z601 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL4525533 1.00 WNT3A (0.52) WNT3APTPN1PTPN2ROCK2ROCK1
SCHEMBL4525453 0.87 ROCK2 (0.53) ROCK2ROCK1HDAC8
SCHEMBL4525931 0.87 ROCK2 (0.53) ROCK2ROCK1HDAC8
SCHEMBL4527153 0.81 WNT3A (0.44) WNT3AROCK2ROCK1
SCHEMBL4530261 0.81 WNT3A (0.44) WNT3AROCK2ROCK1
SCHEMBL4515624 0.80 WNT3A (0.58) WNT3APTPN1PTPN2ROCK2ROCK1
SCHEMBL4514904 0.80 WNT3A (0.58) WNT3APTPN1PTPN2ROCK2ROCK1
SCHEMBL2686192 0.78 NOX1 (0.55) ROCK1GPR142
SCHEMBL4520956 0.73 LMNA (0.44) ROCK2ROCK1
SCHEMBL4528957 0.73 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 3461/4885PTPN1 1462/4885PTPN2 1253/4885

“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.