SCHEMBL12561850

SCHEMBL12561850

O=C(Nc1ccc(-c2ncnc3[nH]ccc23)cc1)C1COc2ccccc2O1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.60
AKT1 P31749 2/20 0.60
ROCK1 Q13464 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
POLB P06746 2/20 0.54
MAPT P10636 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 3/20 0.49
USP2 O75604 2/20 0.49
TP53 P04637 2/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL12561862 0.85 ALDH1A1 (0.54) ROCK2AKT1MEN1KMT2ARAB9A
SCHEMBL1986348 0.84 ROCK2 (0.62) ROCK2AKT1ROCK1MEN1KMT2A
SCHEMBL1984453 0.84 ROCK2 (0.63) ROCK2AKT1ROCK1MEN1KMT2A
SCHEMBL1984459 0.84 ROCK2 (0.63) ROCK2AKT1ROCK1MEN1KMT2A
SCHEMBL1988374 0.82 ROCK2 (0.62) ROCK2AKT1ROCK1MEN1KMT2A
SCHEMBL29291567 0.78 CIT (0.57) ROCK2
SCHEMBL1988406 0.75 ROCK2 (1.00) ROCK2AKT1ROCK1MEN1KMT2A
SCHEMBL1986233 0.75 ROCK2 (1.00) ROCK2AKT1ROCK1MEN1KMT2A
SCHEMBL1992425 0.74 ROCK2 (0.76) ROCK2AKT1ROCK1MEN1KMT2A
SCHEMBL24121895 0.74 CIT (0.53) ROCK2ROCK1

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 3 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
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.