SCHEMBL1640323

SCHEMBL1640323

COc1ccc(Nc2nccc(CC(=O)c3cccc(NC(=O)c4cc(F)ccc4F)c3)n2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.48
MET P08581 5/20 0.48
ABL1 P00519 3/20 0.46
BCR P11274 3/20 0.46
EGFR P00533 3/20 0.46
PRKCA P17252 2/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
AXL P30530 1/20 0.45
SCN9A Q15858 2/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
BTK Q06187 1/20 0.42
ITK Q08881 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41

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
SCHEMBL12766477 0.85 KDR (0.42) KDRMETABL1BCREGFR
SCHEMBL12726478 0.85 KDR (0.47) KDRMETABL1BCREGFR
SCHEMBL1641433 0.83 KDR (0.47) KDRMETABL1BCREGFR
SCHEMBL1641434 0.83 KDR (0.47) KDRMETABL1BCREGFR
SCHEMBL1640288 0.83 KDR (0.47) KDRMETABL1BCREGFR
SCHEMBL12766402 0.82 CCNT1 (0.44) KDRMETABL1BCRPDGFRB
SCHEMBL1641666 0.82 EGFR (0.55) KDRMETEGFRBTKITK
SCHEMBL12726473 0.80 ABL1 (0.46) ABL1BCREGFRPRKCAPDGFRB
SCHEMBL1640293 0.79 FADS1 (0.45)
SCHEMBL1641840 0.78 EGFR (0.51) KDRMETEGFRBTKITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
US-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
US-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
EP-2231625-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
WO-2009076140-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 WO disclosed
WO-2009076140-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 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-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors PDXK, MAP3K1, MAP4K2 KDR 524/4885MET 474/4885ABL1 77/4885

“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.