SCHEMBL4525610

SCHEMBL4525610

CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(-c2ccncc2)cc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.49
F2 P00734 2/20 0.44
ROCK2 O75116 5/20 0.44
ROCK1 Q13464 5/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.40
STAT3 P40763 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
WNT3A P56704 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
SCHEMBL30596225 0.87 KMT2A (0.49) F2MEN1KMT2APOLBMAPT
SCHEMBL4520971 0.84 ROCK2 (0.52) ROCK2ROCK1MEN1KMT2APOLB
SCHEMBL27723719 0.84 CYP17A1 (0.49) CYP17A1F2ROCK2ROCK1MEN1
SCHEMBL4531740 0.83 ROCK2 (0.49) ROCK2ROCK1MEN1KMT2APOLB
SCHEMBL13404759 0.82 NOTUM (0.53) ROCK2ROCK1
SCHEMBL4518662 0.81 ROCK2 (0.47) ROCK2ROCK1MEN1KMT2APOLB
SCHEMBL24867525 0.81 F2 (0.40) CYP17A1F2
SCHEMBL4529314 0.81 ROCK2 (0.42) CYP17A1ROCK2ROCK1MEN1KMT2A
SCHEMBL4533610 0.80 ROCK2 (0.48) ROCK2ROCK1MEN1KMT2APOLB
SCHEMBL4526918 0.79 HPGD (0.46) ROCK2ROCK1MEN1KMT2APOLB

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 3 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
CN-101253152-A Amide derivatives as ROCK inhibitors ASTELLAS PHARMA INC (JP) 2008-08-27 CN 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 CYP17A1 3015/4885F2 4565/4885ROCK2 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.