SCHEMBL12561908

SCHEMBL12561908

CC(C)Nc1cc(-c2cn[nH]c2)ccc1NC(=O)C1COc2ccccc2O1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.75
AKT1 P31749 2/20 0.75
RPS6KB1 P23443 1/20 0.74
ROCK1 Q13464 2/20 0.67
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 1/20 0.56
CDC42BPA Q5VT25 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 2/20 0.48
HTT P42858 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RAB9A P51151 1/20 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
SCHEMBL1987650 0.87 ROCK2 (0.81) ROCK2AKT1RPS6KB1ROCK1SMN1; SMN2
SCHEMBL1988372 0.86 ROCK2 (0.83) ROCK2AKT1RPS6KB1ROCK1SMN1; SMN2
SCHEMBL1988483 0.86 ROCK2 (1.00) ROCK2AKT1RPS6KB1ROCK1SMN1; SMN2
SCHEMBL1988490 0.86 ROCK2 (1.00) ROCK2AKT1RPS6KB1ROCK1SMN1; SMN2
SCHEMBL12601977 0.86 RPS6KB1 (0.80) ROCK2AKT1RPS6KB1ROCK1SMN1; SMN2
SCHEMBL1987366 0.85 ROCK2 (0.78) ROCK2AKT1RPS6KB1ROCK1SMN1; SMN2
SCHEMBL1985789 0.85 RPS6KB1 (1.00) ROCK2AKT1RPS6KB1ROCK1SMN1; SMN2
SCHEMBL1985785 0.85 RPS6KB1 (1.00) ROCK2AKT1RPS6KB1ROCK1SMN1; SMN2
SCHEMBL1989341 0.85 RPS6KB1 (0.79) ROCK2AKT1RPS6KB1ROCK1CDC42BPA
SCHEMBL1988400 0.85 ROCK2 (0.74) ROCK2AKT1RPS6KB1ROCK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 US disclosed
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 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-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS ROCK1, RHOA, RHOT2 ROCK2 4/4885AKT1 31/4885RPS6KB1 42/4885

“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.