SCHEMBL4789053

SCHEMBL4789053

COc1ccc(NC(=O)NCc2nc(-c3ccncc3)n[nH]2)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
MAPT P10636 2/20 0.55
ROCK2 O75116 11/20 0.55
GRK2 P25098 9/20 0.55
KMT2A Q03164 4/20 0.55
PRKCA P17252 5/20 0.53
MEN1 O00255 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
F3 P13726 1/20 0.48
RET P07949 1/20 0.48
ROCK1 Q13464 2/20 0.48

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
SCHEMBL5116727 0.79 ROCK2 (0.68) ALDH1A1ROCK2GRK2KMT2APRKCA
SCHEMBL5116756 0.78 ROCK2 (0.59) MAPTROCK2GRK2PRKCACYP3A4
SCHEMBL5122272 0.78 ROCK2 (0.76) ALDH1A1MAPTROCK2GRK2PRKCA
SCHEMBL5117843 0.75 ROCK2 (0.61) ALDH1A1ROCK2GRK2PRKCAROCK1
SCHEMBL4788582 0.72 ROCK2 (0.62) ROCK2GRK2PRKCA
SCHEMBL13376954 0.72 MAPK8 (0.49) ALDH1A1MAPTROCK2GRK2KMT2A
SCHEMBL5116238 0.72 ROCK2 (0.61) ROCK2GRK2PRKCAROCK1
SCHEMBL4788257 0.71 ROCK2 (0.56) ROCK2GRK2PRKCACYP3A4CYP2D6
SCHEMBL4788086 0.70 GRK2 (0.49) ROCK2GRK2PRKCA
SCHEMBL4789976 0.70 ROCK2 (0.60) MAPTROCK2GRK2KMT2APRKCA

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 5 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
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 3968/4885MAPT 1499/4885ROCK2 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.