SCHEMBL1994824

SCHEMBL1994824

O=C(Nc1ccc(-c2cn[nH]c2)nn1)C1COc2ccccc2O1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.71
ROCK1 Q13464 3/20 0.71
RPS6KB1 P23443 1/20 0.64
AKT1 P31749 4/20 0.63
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 3/20 0.52
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.47
CYP2D6 P10635 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
SCHEMBL1988716 0.87 ROCK2 (0.76) ROCK2ROCK1RPS6KB1AKT1ALDH1A1
SCHEMBL1987717 0.84 ROCK2 (0.82) ROCK2ROCK1RPS6KB1AKT1SMN1; SMN2
SCHEMBL1990726 0.83 ROCK2 (1.00) ROCK2ROCK1RPS6KB1AKT1SMN1; SMN2
SCHEMBL1987209 0.83 ROCK2 (1.00) ROCK2ROCK1RPS6KB1AKT1SMN1; SMN2
SCHEMBL1987751 0.83 ROCK2 (0.67) ROCK2ROCK1AKT1ALDH1A1SMN1; SMN2
SCHEMBL29431932 0.83 ROCK2 (1.00) ROCK2ROCK1RPS6KB1AKT1SMN1; SMN2
SCHEMBL1986365 0.80 ROCK2 (0.71) ROCK2ROCK1RPS6KB1AKT1SMN1; SMN2
SCHEMBL12601977 0.79 RPS6KB1 (0.80) ROCK2ROCK1RPS6KB1AKT1ALDH1A1
SCHEMBL1987650 0.78 ROCK2 (0.81) ROCK2ROCK1RPS6KB1AKT1ALDH1A1
SCHEMBL1985789 0.78 RPS6KB1 (1.00) ROCK2ROCK1RPS6KB1AKT1ALDH1A1

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
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
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 US disclosed
WO-2009079008-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS FENG YANGBO (US) 2009-06-25 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-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS ROCK1, RHOA, RHOT2 ROCK2 4/4885ROCK1 1/4885RPS6KB1 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.