SCHEMBL1141879

SCHEMBL1141879

COC(C=O)c1c(NC(=O)OC(C)(C)C)ccc2nn(C3CCCCO3)cc12

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.34
ATR Q13535 3/20 0.31
BRAF P15056 1/20 0.30

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
SCHEMBL1141609 0.82 ABL1 (0.35) ABL1ATRBRAF
SCHEMBL1141291 0.80 ABL1 (0.35) ABL1ATR
SCHEMBL5808054 0.76 ABL1 (0.34) ABL1ATRBRAF
SCHEMBL5812270 0.74 ABL1 (0.34) ABL1ATRBRAF
SCHEMBL5821921 0.74 CNR2 (0.35) ABL1ATRBRAF
SCHEMBL1141496 0.72 ABL1 (0.34) ABL1ATR
SCHEMBL1141303 0.71 ABL1 (0.34) ABL1ATR
SCHEMBL1141497 0.71 ATR (0.34) ABL1ATRBRAF
SCHEMBL1141151 0.70 ABL1 (0.35) ABL1ATR
SCHEMBL1141305 0.70 ABL1 (0.33) ABL1ATRBRAF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232308-B2 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2012-07-31 US disclosed
US-20110039891-A1 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2011-02-17 US 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-20110039891-A1 Methods for treating a disease in which Rho kinase is involved RHOA, ROCK1, ROCK2 ABL1 67/4885ATR 2910/4885BRAF 353/4885

“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.