SCHEMBL4534312

SCHEMBL4534312

N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ccncc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 3/20 0.57
AKT1 P31749 1/20 0.53
ROCK2 O75116 4/20 0.49
ROCK1 Q13464 4/20 0.49
WNT3A P56704 2/20 0.49
RPS6KA5 O75582 1/20 0.48
RPS6KA4 O75676 1/20 0.48
PRKACA P17612 1/20 0.48
MAPK1 P28482 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
IRAK1 P51617 1/20 0.48
PRKX P51817 1/20 0.48
PRKG1 Q13976 1/20 0.48
PKN2 Q16513 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
SGK2 Q9HBY8 1/20 0.48
CIT O14578 1/20 0.47
TPH1 P17752 1/20 0.46
AAK1 Q2M2I8 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
SCHEMBL4532317 1.00 GPR142 (0.57) GPR142AKT1ROCK2ROCK1WNT3A
SCHEMBL10260826 0.84 ROCK2 (0.64) GPR142AKT1ROCK2ROCK1RPS6KA5
SCHEMBL2802593 0.84 ROCK2 (0.64) GPR142AKT1ROCK2ROCK1RPS6KA5
SCHEMBL2802584 0.84 ROCK2 (0.64) GPR142AKT1ROCK2ROCK1RPS6KA5
Hydrochloric Acid SCHEMBL4525075 0.83 ROCK2 (0.62) GPR142AKT1ROCK2ROCK1RPS6KA5
SCHEMBL9590000 0.79 ANPEP (0.58) AKT1CIT
SCHEMBL9602121 0.79 ANPEP (0.58) AKT1CIT
SCHEMBL4527153 0.79 WNT3A (0.44) ROCK2ROCK1WNT3ARPS6KA5RPS6KA4
SCHEMBL4530261 0.79 WNT3A (0.44) ROCK2ROCK1WNT3ARPS6KA5RPS6KA4
SCHEMBL20473200 0.79 GAA (0.57) GPR142AKT1ROCK2ROCK1CIT

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 7 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
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 GPR142 3166/4885AKT1 41/4885ROCK2 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.