SCHEMBL12517615

SCHEMBL12517615

CNS(=O)(=O)c1cccc(Nc2cc(Nc3ccc(Cl)cn3)ncn2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 18/20 1.00
EGFR P00533 6/20 1.00
BRAF P15056 4/20 0.66

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
Trifluoroacetic Acid SCHEMBL14322540 0.91 TNNI3K (0.83) TNNI3KEGFRBRAF
SCHEMBL12517863 0.88 TNNI3K (1.00) TNNI3KEGFR
SCHEMBL12516525 0.87 TNNI3K (1.00) TNNI3KEGFR
SCHEMBL2227166 0.87 TNNI3K (1.00) TNNI3KEGFR
SCHEMBL14323771 0.86 TNNI3K (0.88) TNNI3KEGFR
SCHEMBL2285890 0.84 TNNI3K (1.00) TNNI3KEGFR
SCHEMBL12516547 0.83 TNNI3K (0.82) TNNI3KEGFR
SCHEMBL2275752 0.83 TNNI3K (1.00) TNNI3KEGFR
SCHEMBL2290446 0.83 TNNI3K (1.00) TNNI3KEGFR
SCHEMBL12516584 0.83 TNNI3K (0.77) TNNI3KEGFR

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-20120329784-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-12-27 US claimed
US-20120329784-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-12-27 US disclosed
US-20120329784-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-12-27 US 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 TNNI3K 2596/4885EGFR 888/4885BRAF 1164/4885

“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.