SCHEMBL4526690

SCHEMBL4526690

Nc1nccc(-c2ccc(NC(=O)[C@H](N)Cc3ccccc3)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CIT O14578 6/20 0.59
ROCK2 O75116 4/20 0.51
AURKA O14965 1/20 0.49
HSP90AA1 P07900 1/20 0.49
PRKACA P17612 1/20 0.49
ADORA2A P29274 1/20 0.49
BACE1 P56817 2/20 0.48
IKBKB O14920 1/20 0.47
JAK2 O60674 2/20 0.46
JAK3 P52333 2/20 0.46
AKT1 P31749 1/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC6 Q9UBN7 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
SCHEMBL4522585 0.89 ROCK2 (0.61) CITROCK2JAK2JAK3HDAC8
SCHEMBL4528422 0.89 CIT (0.48) CITROCK2JAK2JAK3KDM4E
SCHEMBL4525156 0.87 ROCK2 (0.63) CITROCK2JAK2JAK3MEN1
SCHEMBL4527259 0.86 CIT (0.62) CITROCK2HDAC8KDM4EMEN1
SCHEMBL4534587 0.85 ROCK2 (0.45) CITROCK2AURKAHSP90AA1PRKACA
SCHEMBL10259587 0.83 IKBKB (0.48) CITROCK2IKBKBJAK2JAK3
SCHEMBL4528972 0.82 HSP90AA1 (0.52) ROCK2AURKAHSP90AA1PRKACAADORA2A
SCHEMBL4537035 0.82 HSP90AA1 (0.52) ROCK2AURKAHSP90AA1PRKACAADORA2A
SCHEMBL14338281 0.82 JAK2 (0.56) CITPRKACAIKBKBJAK2JAK3
SCHEMBL14338286 0.82 JAK2 (0.56) CITPRKACAIKBKBJAK2JAK3

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 CIT 7/4885ROCK2 2/4885AURKA 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.