SCHEMBL4534587

SCHEMBL4534587

Nc1nccc(-c2ccc(NC(=O)[C@H](N)Cc3ccccc3F)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.45
CIT O14578 6/20 0.43
AURKA O14965 1/20 0.42
HSP90AA1 P07900 1/20 0.42
PRKACA P17612 1/20 0.42
ADORA2A P29274 1/20 0.42
JAK2 O60674 2/20 0.42
JAK3 P52333 2/20 0.42
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LARS1 Q9P2J5 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SCN9A Q15858 1/20 0.39
PRNP P04156 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL4526690 0.85 CIT (0.59) ROCK2CITAURKAHSP90AA1PRKACA
SCHEMBL4528422 0.83 CIT (0.48) ROCK2CITJAK2JAK3KDM4E
SCHEMBL4525156 0.82 ROCK2 (0.63) ROCK2CITJAK2JAK3LARS1
SCHEMBL4534589 0.81 HSP90AA1 (0.45) ROCK2AURKAHSP90AA1PRKACAADORA2A
SCHEMBL27744382 0.81 HSP90AA1 (0.45) ROCK2AURKAHSP90AA1PRKACAADORA2A
SCHEMBL4525345 0.81 AAK1 (0.58) ROCK2CITPRKACAAAK1
SCHEMBL29069797 0.80 CIT (0.44) ROCK2CITAAK1NR3C2
SCHEMBL29069795 0.80 CIT (0.44) ROCK2CITAAK1NR3C2
SCHEMBL10259587 0.79 IKBKB (0.48) ROCK2CITJAK2JAK3KDM4E
SCHEMBL4522585 0.79 ROCK2 (0.61) ROCK2CITJAK2JAK3KDM4E

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 2/4885CIT 7/4885AURKA 286/4885

“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.