SCHEMBL1990726

SCHEMBL1990726

O=C(Nc1ccc(-c2cn[nH]c2)cc1)[C@H]1COc2ccccc2O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 1.00
ROCK1 Q13464 2/20 1.00
RPS6KB1 P23443 1/20 0.71
AKT1 P31749 4/20 0.70
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
POLB P06746 1/20 0.61
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
HPGD P15428 1/20 0.60
CYP2C19 P33261 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.56

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
SCHEMBL1987209 1.00 ROCK2 (1.00) ROCK2ROCK1RPS6KB1AKT1NPC1
SCHEMBL29431932 1.00 ROCK2 (1.00) ROCK2ROCK1RPS6KB1AKT1NPC1
SCHEMBL1987717 0.90 ROCK2 (0.82) ROCK2ROCK1RPS6KB1AKT1NPC1
SCHEMBL1988716 0.86 ROCK2 (0.76) ROCK2ROCK1RPS6KB1AKT1NPC1
SCHEMBL1987182 0.85 ROCK2 (0.74) ROCK2ROCK1RPS6KB1AKT1NPC1
SCHEMBL1990954 0.85 ROCK2 (0.73) ROCK2ROCK1RPS6KB1AKT1NPC1
SCHEMBL1990960 0.85 ROCK2 (0.73) ROCK2ROCK1RPS6KB1AKT1NPC1
SCHEMBL1988377 0.85 ROCK2 (0.73) ROCK2ROCK1RPS6KB1AKT1NPC1
SCHEMBL1988376 0.85 ROCK2 (0.73) ROCK2ROCK1RPS6KB1AKT1NPC1
SCHEMBL12561553 0.85 ROCK2 (0.73) ROCK2ROCK1RPS6KB1AKT1NPC1

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.