SCHEMBL4536935

SCHEMBL4536935

O=C(Nc1ccc(-c2ccncc2)cc1)C(Cc1ccccc1)N1CCC(O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.50
ROCK1 Q13464 7/20 0.50
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
PKM P14618 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HDAC8 Q9BY41 3/20 0.44
KMT2A Q03164 1/20 0.43
GPR142 Q7Z601 1/20 0.42
F9 P00740 1/20 0.42
RPS6KA5 O75582 1/20 0.42
RPS6KA4 O75676 1/20 0.42
PRKACA P17612 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
IRAK1 P51617 1/20 0.42
PRKX P51817 1/20 0.42
PRKG1 Q13976 1/20 0.42

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
SCHEMBL4522473 0.86 ROCK2 (0.51) ROCK2ROCK1MAPTTP53PKM
SCHEMBL4537056 0.86 ROCK2 (0.51) ROCK2ROCK1MAPTTP53PKM
SCHEMBL4516301 0.84 KMT2A (0.55) MAPTTP53POLBMAPK1NPSR1
SCHEMBL4514523 0.81 ALDH1A1 (0.51) ROCK2ROCK1NPSR1
SCHEMBL4526393 0.75 ROCK2 (0.62) ROCK2ROCK1POLBMAPK1HDAC8
SCHEMBL4523811 0.75 ROCK2 (0.62) ROCK2ROCK1POLBMAPK1HDAC8
SCHEMBL27723735 0.75 ROCK2 (0.62) ROCK2ROCK1POLBMAPK1HDAC8
SCHEMBL2802584 0.74 ROCK2 (0.64) ROCK2ROCK1MAPK1HDAC8GPR142
SCHEMBL2802593 0.74 ROCK2 (0.64) ROCK2ROCK1MAPK1HDAC8GPR142
SCHEMBL10260826 0.74 ROCK2 (0.64) ROCK2ROCK1MAPK1HDAC8GPR142

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 10 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-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
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
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 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
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
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 ROCK2 2/4885ROCK1 1/4885MAPT 236/4885

“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.