SCHEMBL5114855

SCHEMBL5114855

CS(=O)(=O)Nc1cccc(C(=O)NCc2nc(-c3c[nH]c4ncccc34)n[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.52
GRK2 P25098 10/20 0.52
ROCK1 Q13464 9/20 0.51
CYP3A4 P08684 8/20 0.51
CIT O14578 1/20 0.49
MAP3K7 O43318 1/20 0.49
JAK2 O60674 1/20 0.49
RPS6KA5 O75582 1/20 0.49
RPS6KA4 O75676 1/20 0.49
PRKCG P05129 1/20 0.49
PRKCB P05771 1/20 0.49
CCNA2 P20248 1/20 0.49
RPS6KB1 P23443 1/20 0.49
CDK2 P24941 1/20 0.49
MAPK1 P28482 1/20 0.49
FLT3 P36888 1/20 0.49
GSK3B P49841 1/20 0.49
IRAK1 P51617 1/20 0.49
RPS6KA3 P51812 1/20 0.49
JAK3 P52333 1/20 0.49

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
SCHEMBL4789558 0.81 CYP3A4 (0.62) ROCK2GRK2ROCK1CYP3A4CIT
SCHEMBL5109024 0.80 ROCK2 (0.67) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL5122984 0.78 CAMKK2 (0.51) ROCK2GRK2ROCK1JAK2RPS6KA5
SCHEMBL5122742 0.78 ROCK2 (0.45) ROCK2GRK2CDK2GSK3BDYRK1A
SCHEMBL13887911 0.76 CYP3A4 (0.61) ROCK2ROCK1CYP3A4CITMAP3K7
SCHEMBL14289640 0.76 ADORA2A (0.44) ROCK2GRK2ROCK1
SCHEMBL5117005 0.75 TSHR (0.45) ROCK2GRK2ROCK1GSK3BCDK5
SCHEMBL14289641 0.74 JAK3 (0.47) ROCK2ROCK1JAK2RPS6KA5PRKCG
SCHEMBL298441 0.73 NEK2 (0.60) ROCK1CYP3A4CITMAP3K7JAK2
SCHEMBL13887909 0.73 CYP3A4 (0.69) ROCK2ROCK1CYP3A4CITMAP3K7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 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-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA ROCK2 2/4885GRK2 254/4885ROCK1 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.