SCHEMBL4514247

SCHEMBL4514247

CC(C)(C)OC(=O)N(C(=O)[C@H](N)Cc1ccccc1)c1ccc(-c2ccncc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CIT O14578 2/20 0.45
ROCK2 O75116 5/20 0.37
PRKCI P41743 7/20 0.36
ROCK1 Q13464 3/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
SLC7A5 Q01650 1/20 0.35
MC4R P32245 1/20 0.35
MC5R P33032 1/20 0.35
MC3R P41968 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
PRKACA P17612 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
PRKX P51817 1/20 0.34
PRKCQ Q04759 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL4514249 0.82 ROCK2 (0.37) CITROCK2PRKCIROCK1PPARG
SCHEMBL27509941 0.81 SLC7A5 (0.47) SLC7A5MC4RMC5RMC3R
SCHEMBL5961039 0.81 SLC7A5 (0.47) SLC7A5MC4RMC5RMC3R
SCHEMBL5961037 0.81 SLC7A5 (0.47) SLC7A5MC4RMC5RMC3R
SCHEMBL4527459 0.81 GPR142 (0.43) ROCK1
SCHEMBL4514376 0.81 GPR142 (0.43) ROCK1
SCHEMBL4512482 0.80 CTSS (0.38) ROCK1PRKACA
SCHEMBL4524956 0.80 ROCK1 (0.50) ROCK2ROCK1SLC7A5CYP3A4PRKACA
SCHEMBL4526794 0.78 TPH1 (0.39)
SCHEMBL4528517 0.78 SLC7A5 (0.43) CITSLC7A5

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 CIT 7/4885ROCK2 2/4885PRKCI 79/4885

“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.