SCHEMBL4523463

SCHEMBL4523463

N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 7/20 0.64
AAK1 Q2M2I8 1/20 0.61
ROCK2 O75116 4/20 0.54
CIT O14578 4/20 0.49
ROCK1 Q13464 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
AKT1 P31749 1/20 0.47
PSMD14 O00487 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
BLM P54132 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4521918 1.00 GPR142 (0.64) GPR142AAK1ROCK2CITROCK1
SCHEMBL4529357 0.88 AAK1 (0.62) GPR142AAK1ROCK2CITROCK1
SCHEMBL15577693 0.88 GAA (0.54) GPR142ROCK2KMT2AMEN1CYP1A2
SCHEMBL4514303 0.88 AAK1 (0.58) GPR142AAK1ROCK2CITROCK1
SCHEMBL4530047 0.87 ROCK2 (0.69) GPR142AAK1ROCK2CITROCK1
SCHEMBL2684210 0.87 GPR142 (0.61) GPR142AAK1ROCK2ROCK1AKT1
SCHEMBL2684215 0.87 GPR142 (0.61) GPR142AAK1ROCK2ROCK1AKT1
SCHEMBL2802584 0.87 ROCK2 (0.64) GPR142AAK1ROCK2CITROCK1
SCHEMBL2802593 0.87 ROCK2 (0.64) GPR142AAK1ROCK2CITROCK1
SCHEMBL10260826 0.87 ROCK2 (0.64) GPR142AAK1ROCK2CITROCK1

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 GPR142 3166/4885AAK1 736/4885ROCK2 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.