SCHEMBL4522592

SCHEMBL4522592

CC(C)(C)N(C(=O)O)[C@H](C(=O)Nc1ccc(-c2ccncc2)cc1)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.41
POLB P06746 2/20 0.40
ROCK2 O75116 7/20 0.40
ROCK1 Q13464 6/20 0.40
TAAR1 Q96RJ0 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38
STAT3 P40763 1/20 0.38
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMO Q99835 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
SCHEMBL4525125 0.87 HDAC4 (0.47) AAK1POLBROCK2ROCK1TAAR1
SCHEMBL4528048 0.86 ROCK2 (0.45) AAK1ROCK2ROCK1SMN1; SMN2JAK2
SCHEMBL4532143 0.85 ROCK2 (0.48) AAK1POLBROCK2ROCK1TAAR1
SCHEMBL4519493 0.85 ROCK2 (0.48) AAK1POLBROCK2ROCK1TAAR1
SCHEMBL4528949 0.80 AAK1 (0.42) AAK1ROCK2ROCK1TAAR1ALDH1A1
SCHEMBL4517728 0.78 MMP2 (0.43) AAK1ROCK2ROCK1TAAR1SMN1; SMN2
SCHEMBL4525931 0.77 ROCK2 (0.53) AAK1ROCK2ROCK1SMN1; SMN2ALDH1A1
SCHEMBL4525453 0.77 ROCK2 (0.53) AAK1ROCK2ROCK1SMN1; SMN2ALDH1A1
SCHEMBL4534351 0.76 ROCK2 (0.46) AAK1POLBROCK2ROCK1TAAR1
SCHEMBL4520733 0.76 AAK1 (0.52) AAK1POLBROCK2ROCK1TAAR1

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 2 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-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 AAK1 736/4885POLB 3624/4885ROCK2 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.