SCHEMBL2353032

SCHEMBL2353032

CNS(=O)(=O)c1ccc(S(=O)(=O)C(C)(C)C)c(Nc2cc(Cl)ncn2)c1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.74
TNNI3K Q59H18 17/20 0.58

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
SCHEMBL2276372 0.88 TNNI3K (0.72) BRAFTNNI3K
SCHEMBL12517797 0.87 BRAF (0.78) BRAFTNNI3K
SCHEMBL14323572 0.86 TNNI3K (0.74) BRAFTNNI3K
SCHEMBL2278376 0.85 BRAF (0.74) BRAFTNNI3K
SCHEMBL12517861 0.85 BRAF (1.00) BRAFTNNI3K
SCHEMBL14323857 0.84 TNNI3K (0.74) BRAFTNNI3K
SCHEMBL14322867 0.83 TNNI3K (0.74) BRAFTNNI3K
SCHEMBL14323789 0.82 TNNI3K (0.77) BRAFTNNI3K
SCHEMBL2284170 0.81 TNNI3K (0.76) BRAFTNNI3K
SCHEMBL14323862 0.81 TNNI3K (0.67) BRAFTNNI3K

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-20120329784-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-12-27 US disclosed
EP-2523559-A1 COMPOUNDS AND METHODS GlaxoSmithKline LLC (US) 2012-11-21 EP disclosed
WO-2011088027-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 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-20120329784-A1 COMPOUNDS AND METHODS RB1, DHFR, NQO1 BRAF 1164/4885TNNI3K 2596/4885

“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.