SCHEMBL4533605

SCHEMBL4533605

CN(c1ccc(-c2ccncc2)cc1)[C@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
ROCK2 O75116 8/20 0.46
ROCK1 Q13464 6/20 0.46
GSK3B P49841 4/20 0.46
CLK4 Q9HAZ1 4/20 0.46
RPS6KA5 O75582 3/20 0.46
PRKACA P17612 3/20 0.46
MAPK1 P28482 3/20 0.46
PRKX P51817 3/20 0.46
PRKG1 Q13976 3/20 0.46
GSK3A P49840 2/20 0.46
PKN2 Q16513 2/20 0.46
SGK2 Q9HBY8 2/20 0.46
RPS6KA4 O75676 2/20 0.46
IRAK1 P51617 1/20 0.46
ABHD6 Q9BV23 2/20 0.46
MAP4K4 O95819 2/20 0.43
CDC7 O00311 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43

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
SCHEMBL27723703 0.84 ROCK2 (0.46) MAPTALDH1A1ROCK2ROCK1GSK3B
SCHEMBL4518614 0.84 ROCK2 (0.49) MAPTALDH1A1ROCK2ROCK1GSK3B
SCHEMBL4533602 0.78 CIT (0.61) MAPTALDH1A1ROCK2ROCK1GSK3B
SCHEMBL4530676 0.76 GPR142 (0.40) MAPTALDH1A1ROCK2ROCK1GSK3B
SCHEMBL2163671 0.75 GPR88 (0.46) MAPTALDH1A1GPR88
SCHEMBL20791653 0.75 ALDH1A1 (0.58) MAPTALDH1A1MAPK1EPHX1
SCHEMBL1432589 0.75 ALDH1A1 (0.58) MAPTALDH1A1MAPK1EPHX1
SCHEMBL4520251 0.75 ROCK2 (0.43) ROCK2ROCK1GSK3BCLK4RPS6KA5
SCHEMBL3901603 0.75 ALDH1A1 (0.58) MAPTALDH1A1MAPK1EPHX1
SCHEMBL4518611 0.74 GPR142 (0.46) ROCK2ROCK1GSK3BCLK4RPS6KA5

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 4 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
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 WO 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 MAPT 236/4885ALDH1A1 3985/4885ROCK2 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.