SCHEMBL1990142

SCHEMBL1990142

O=C(Nc1cc(C(F)(F)F)c(-c2cn[nH]c2)cc1F)C1COc2ccccc2O1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 2/20 0.71
ROCK2 O75116 7/20 0.60
AKT1 P31749 2/20 0.60
ROCK1 Q13464 2/20 0.59
GAA P10253 1/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.46
TSHR P16473 2/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 1/20 0.45
MDM2 Q00987 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL12561687 0.88 RPS6KB1 (0.74) RPS6KB1ROCK2AKT1ROCK1LMNA
SCHEMBL12561730 0.88 RPS6KB1 (0.74) RPS6KB1ROCK2AKT1ROCK1LMNA
SCHEMBL1984599 0.86 ROCK2 (0.73) RPS6KB1ROCK2AKT1ROCK1HTT
SCHEMBL1984590 0.86 ROCK2 (0.73) RPS6KB1ROCK2AKT1ROCK1HTT
SCHEMBL1990390 0.86 ROCK2 (0.69) RPS6KB1ROCK2AKT1ROCK1GAA
SCHEMBL1991403 0.85 ROCK2 (0.58) RPS6KB1ROCK2AKT1ROCK1GAA
SCHEMBL1987870 0.85 RPS6KB1 (0.78) RPS6KB1ROCK2AKT1ROCK1GAA
SCHEMBL1985789 0.83 RPS6KB1 (1.00) RPS6KB1ROCK2AKT1ROCK1LMNA
SCHEMBL1985785 0.83 RPS6KB1 (1.00) RPS6KB1ROCK2AKT1ROCK1LMNA
SCHEMBL1989572 0.83 RPS6KB1 (0.72) RPS6KB1ROCK2AKT1ROCK1LMNA

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 RPS6KB1 42/4885ROCK2 4/4885AKT1 31/4885

“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.