SCHEMBL5117901

SCHEMBL5117901

CS(=O)(=O)Nc1ccc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
ROCK2 O75116 16/20 0.53
GRK2 P25098 16/20 0.53
PRKCA P17252 7/20 0.52
GRK3 P35626 2/20 0.52
GRK5 P34947 1/20 0.52
GRK7 Q8WTQ7 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL5109024 0.88 ROCK2 (0.67) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL5123201 0.83 ALDH1A1 (0.52) ALDH1A1ROCK2GRK2PRKCAGRK3
SCHEMBL4790124 0.83 ROCK2 (0.59) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL5112465 0.83 ROCK2 (0.56) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL4788257 0.82 ROCK2 (0.56) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL5116727 0.81 ROCK2 (0.68) ALDH1A1ROCK2GRK2PRKCAGRK3
SCHEMBL5123857 0.81 ROCK2 (0.57) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL5112525 0.77 ROCK2 (0.56) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL4790264 0.77 ROCK2 (0.53) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL5112410 0.76 ROCK2 (0.54) ROCK2GRK2PRKCAGRK3GRK5

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 ALDH1A1 3968/4885ROCK2 2/4885GRK2 254/4885

“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.