SCHEMBL1986233

SCHEMBL1986233

O=C(Nc1ccc(-c2ccncc2)cc1)C1COc2ccccc2O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 1.00
AKT1 P31749 2/20 1.00
ROCK1 Q13464 2/20 0.70
HPGD P15428 2/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
NPC1 O15118 4/20 0.69
RAB9A P51151 4/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
POLB P06746 2/20 0.67
MAPT P10636 2/20 0.67
ALDH1A1 P00352 1/20 0.67
ALOX15 P16050 1/20 0.67
TSHR P16473 1/20 0.67
HSD17B10 Q99714 1/20 0.67
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.62
LMNA P02545 2/20 0.60

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
SCHEMBL1988406 1.00 ROCK2 (1.00) ROCK2AKT1ROCK1HPGDCYP1A2
SCHEMBL1987882 0.88 ROCK2 (0.79) ROCK2AKT1ROCK1HPGDCYP1A2
SCHEMBL1988342 0.87 ROCK2 (0.77) ROCK2AKT1ROCK1HPGDCYP1A2
SCHEMBL1992425 0.86 ROCK2 (0.76) ROCK2AKT1ROCK1HPGDCYP1A2
SCHEMBL1986254 0.85 ROCK2 (0.74) ROCK2AKT1ROCK1HPGDCYP1A2
SCHEMBL12602422 0.85 ROCK2 (0.74) ROCK2AKT1ROCK1HPGDCYP1A2
SCHEMBL1986253 0.85 ROCK2 (0.74) ROCK2AKT1ROCK1HPGDCYP1A2
SCHEMBL1987444 0.85 ROCK2 (0.73) ROCK2AKT1ROCK1HPGDCYP1A2
SCHEMBL1987143 0.84 ROCK2 (0.72) ROCK2AKT1ROCK1HPGDCYP1A2
SCHEMBL1988854 0.84 ROCK2 (0.72) ROCK2AKT1ROCK1HPGDCYP1A2

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 4/4885AKT1 31/4885ROCK1 1/4885

“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.