SCHEMBL1935844

SCHEMBL1935844

COc1nc(N[C@H]2CC[C@H](N(C(=O)O)C(C)(C)C)CC2)ccc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
BTK Q06187 2/20 0.40
MAPK8 P45983 4/20 0.37
SYK P43405 9/20 0.36
KIT P10721 1/20 0.36
FLT3 P36888 1/20 0.36
GSK3B P49841 1/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
MAPK9 P45984 1/20 0.34

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
SCHEMBL1935846 1.00 ROCK2 (0.43) ROCK2ROCK1BTKMAPK8SYK
SCHEMBL1938096 0.89 SYK (0.40) BTKMAPK8SYKKITFLT3
SCHEMBL1938097 0.89 SYK (0.40) BTKMAPK8SYKKITFLT3
SCHEMBL1938085 0.85 ROCK2 (0.47) ROCK2ROCK1BTKSYKGSK3B
SCHEMBL1938084 0.85 ROCK2 (0.47) ROCK2ROCK1BTKSYKGSK3B
SCHEMBL1937258 0.82 GAA (0.37)
SCHEMBL1937259 0.82 GAA (0.37)
SCHEMBL1938169 0.81 ROCK2 (0.62) ROCK2ROCK1BTKMAPK8SYK
SCHEMBL1938167 0.81 ROCK2 (0.62) ROCK2ROCK1BTKMAPK8SYK
SCHEMBL1937890 0.81 ROCK2 (0.53) ROCK2ROCK1MAPK8SYKKIT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-07-07 US disclosed
EP-2331507-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2011-06-15 EP disclosed
WO-2010032875-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-25 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-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ROCK1, ROCK2, RHOT2 ROCK2 2/4885ROCK1 1/4885BTK 500/4885

“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.