SCHEMBL6912209

SCHEMBL6912209

CCOc1cc2ncnc(Nc3cc(S(=O)(=O)NC)ccc3OCC(F)(F)F)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 15/20 1.00
BRAF P15056 10/20 1.00
EGFR P00533 2/20 0.51
LRRK2 Q5S007 1/20 0.49
RET P07949 1/20 0.48

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
SCHEMBL6912939 1.00 TNNI3K (1.00) TNNI3KBRAFEGFRLRRK2RET
Hydrochloric Acid SCHEMBL12003571 0.99 TNNI3K (0.98) TNNI3KBRAFEGFRLRRK2RET
SCHEMBL6910954 0.96 TNNI3K (0.93) TNNI3KBRAFEGFR
SCHEMBL6910868 0.95 TNNI3K (1.00) TNNI3KBRAFEGFRLRRK2RET
Trifluoroacetic Acid SCHEMBL12004269 0.95 TNNI3K (0.91) TNNI3KBRAFEGFRLRRK2RET
Hydrochloric Acid SCHEMBL12003636 0.95 TNNI3K (0.98) TNNI3KBRAFEGFRLRRK2RET
SCHEMBL1807210 0.91 TNNI3K (0.88) TNNI3KBRAFEGFR
SCHEMBL6911975 0.90 TNNI3K (0.85) TNNI3KBRAFEGFRLRRK2RET
SCHEMBL6912666 0.90 TNNI3K (1.00) TNNI3KBRAFEGFRLRRK2RET
SCHEMBL1807757 0.90 TNNI3K (1.00) TNNI3KBRAFEGFRLRRK2RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859571-B2 Quinazoline compounds GLAXOSMITHKLINE LLC (US) 2014-10-14 US claimed
EP-2501233-B1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-09-24 EP claimed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 US claimed
US-8859571-B2 Quinazoline compounds GLAXOSMITHKLINE LLC (US) 2014-10-14 US disclosed
US-8859571-B2 Quinazoline compounds GLAXOSMITHKLINE LLC (US) 2014-10-14 US disclosed
EP-2501233-B1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-09-24 EP disclosed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 US disclosed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 US disclosed
WO-2011056740-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-12 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-20120220588-A1 QUINAZOLINE COMPOUNDS NQO2, PRMT7, QDPR TNNI3K 532/4885BRAF 1665/4885EGFR 3336/4885

“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.