SCHEMBL4514904

SCHEMBL4514904

N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ccncc2)nc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 5/20 0.58
AKT1 P31749 1/20 0.57
GPR142 Q7Z601 2/20 0.53
CIT O14578 1/20 0.52
ROCK2 O75116 5/20 0.51
ROCK1 Q13464 4/20 0.51
AAK1 Q2M2I8 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
LTA4H P09960 1/20 0.47
BACE1 P56817 2/20 0.47

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
SCHEMBL4515624 1.00 WNT3A (0.58) WNT3AAKT1GPR142CITROCK2
SCHEMBL2802584 0.85 ROCK2 (0.64) AKT1GPR142CITROCK2ROCK1
SCHEMBL10260826 0.85 ROCK2 (0.64) AKT1GPR142CITROCK2ROCK1
SCHEMBL2802593 0.85 ROCK2 (0.64) AKT1GPR142CITROCK2ROCK1
Hydrochloric Acid SCHEMBL4525075 0.84 ROCK2 (0.62) AKT1GPR142CITROCK2ROCK1
SCHEMBL9590958 0.82 AKT1 (0.66) AKT1GPR142CITROCK2ROCK1
SCHEMBL28744223 0.80 BACE1 (0.52) AKT1CITROCK2ROCK1AAK1
SCHEMBL4525533 0.80 WNT3A (0.52) WNT3AGPR142ROCK2ROCK1PTPN2
SCHEMBL4522545 0.80 WNT3A (0.52) WNT3AGPR142ROCK2ROCK1PTPN2
SCHEMBL2684771 0.79 GPR142 (0.64) AKT1GPR142CITROCK2ROCK1

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 6 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

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 WNT3A 3461/4885AKT1 41/4885GPR142 3166/4885

“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.