SCHEMBL4520733

SCHEMBL4520733

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.52
ROCK2 O75116 10/20 0.50
ROCK1 Q13464 8/20 0.50
POLB P06746 2/20 0.48
TAAR1 Q96RJ0 1/20 0.47
JAK2 O60674 2/20 0.46
TYK2 P29597 2/20 0.46
JAK1 P23458 2/20 0.43
CYP3A4 P08684 1/20 0.43
CNR1 P21554 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
STAT3 P40763 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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 1.00 AAK1 (0.52) AAK1ROCK2ROCK1POLBTAAR1
SCHEMBL4518392 0.84 HDAC4 (0.56) AAK1ROCK2ROCK1POLBTAAR1
SCHEMBL4527223 0.82 AAK1 (0.53) AAK1ROCK2ROCK1TAAR1JAK2
SCHEMBL14605521 0.81 AAK1 (0.52) AAK1ROCK2ROCK1POLBTAAR1
SCHEMBL4529608 0.81 AAK1 (0.49) AAK1ROCK2ROCK1POLBTAAR1
SCHEMBL27744413 0.81 ROCK2 (0.62) AAK1ROCK2ROCK1POLBTAAR1
SCHEMBL4527170 0.81 ROCK2 (0.62) AAK1ROCK2ROCK1POLBTAAR1
SCHEMBL4531698 0.81 ROCK2 (0.62) AAK1ROCK2ROCK1POLBTAAR1
SCHEMBL10267381 0.79 AAK1 (0.58) AAK1ROCK2ROCK1POLBTAAR1
SCHEMBL4525580 0.79 AAK1 (0.58) AAK1ROCK2ROCK1POLBTAAR1

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 6 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

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 736/4885ROCK2 2/4885ROCK1 1/4885

“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.