SCHEMBL4535752

SCHEMBL4535752

CN(CC(=O)Nc1ccc(-c2ccncc2)cc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.51
ROCK1 Q13464 5/20 0.51
NOTUM Q6P988 1/20 0.47
POLB P06746 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
STAT3 P40763 1/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 1/20 0.46
NAMPT P43490 1/20 0.46
KDM4E B2RXH2 2/20 0.46
WNT3A P56704 1/20 0.45

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
SCHEMBL4520971 0.85 ROCK2 (0.52) ROCK2ROCK1POLBSMN1; SMN2STAT3
SCHEMBL4531740 0.84 ROCK2 (0.49) ROCK2ROCK1POLBSMN1; SMN2STAT3
SCHEMBL4534742 0.84 ROCK2 (0.51) ROCK2ROCK1POLBSMN1; SMN2STAT3
SCHEMBL4527624 0.82 GAA (0.59) POLBSMN1; SMN2NPC1ALDH1A1HTT
SCHEMBL4534828 0.82 ALDH1A1 (0.49) ROCK2ROCK1POLBSMN1; SMN2STAT3
SCHEMBL13102343 0.81 ALDH1A1 (0.58) POLBSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL4533610 0.81 ROCK2 (0.48) ROCK2ROCK1POLBSMN1; SMN2STAT3
SCHEMBL4525893 0.80 ROCK2 (0.45) ROCK2ROCK1POLBSMN1; SMN2STAT3
SCHEMBL4518662 0.80 ROCK2 (0.47) ROCK2ROCK1POLBSMN1; SMN2STAT3
SCHEMBL19416836 0.79 KMT2A (0.68) POLBSMN1; SMN2ALDH1A1RAB9AMAPT

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 1/4885NOTUM 2558/4885

“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.