SCHEMBL4527223

SCHEMBL4527223

COc1ccccc1C(N)C(=O)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
ROCK2 O75116 4/20 0.52
ROCK1 Q13464 3/20 0.52
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
RAB9A P51151 1/20 0.45
JAK2 O60674 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42

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
SCHEMBL27744404 0.82 AAK1 (0.52) AAK1SMN1; SMN2ROCK2ROCK1KMT2A
SCHEMBL4518392 0.82 HDAC4 (0.56) AAK1SMN1; SMN2ROCK2ROCK1KMT2A
SCHEMBL4520733 0.82 AAK1 (0.52) AAK1SMN1; SMN2ROCK2ROCK1KMT2A
SCHEMBL4630929 0.82 ROCK2 (0.57) AAK1SMN1; SMN2ROCK2ROCK1MAPT
SCHEMBL14605521 0.79 AAK1 (0.52) AAK1SMN1; SMN2ROCK2ROCK1LMNA
SCHEMBL4529608 0.79 AAK1 (0.49) AAK1SMN1; SMN2ROCK2ROCK1TAAR1
SCHEMBL4527170 0.79 ROCK2 (0.62) AAK1SMN1; SMN2ROCK2ROCK1LMNA
SCHEMBL4531698 0.79 ROCK2 (0.62) AAK1SMN1; SMN2ROCK2ROCK1LMNA
SCHEMBL27744413 0.79 ROCK2 (0.62) AAK1SMN1; SMN2ROCK2ROCK1LMNA
SCHEMBL4528048 0.78 ROCK2 (0.45) AAK1SMN1; SMN2ROCK2ROCK1MAPT

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 9 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
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 AAK1 736/4885SMN1; SMN2 3046/4885ROCK2 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.