SCHEMBL1643563

SCHEMBL1643563

COCCOc1ccc(Nc2nccc(-c3sc(N)nc3-c3cccc(NC(=O)c4cc(F)ccc4F)c3)n2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.47
ITK Q08881 2/20 0.47
SLC2A1 P11166 1/20 0.47
BRAF P15056 2/20 0.45
ABL1 P00519 4/20 0.45
BCR P11274 3/20 0.45
PDGFRB P09619 2/20 0.45
PDGFRA P16234 2/20 0.45
PRKCA P17252 1/20 0.45
BTK Q06187 2/20 0.43
ABL2 P42684 1/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL1642021 0.93 ABL1 (0.51) EGFRSLC2A1BRAFABL1BCR
SCHEMBL1641934 0.90 SLC2A1 (0.56) EGFRITKSLC2A1BRAFABL1
SCHEMBL1642212 0.87 EGFR (0.47) EGFRSLC2A1BRAFABL1BCR
SCHEMBL1641928 0.87 SLC2A1 (0.49) EGFRITKSLC2A1BRAFABL1
SCHEMBL1640567 0.85 SLC2A1 (0.49) EGFRSLC2A1BRAFABL1BCR
SCHEMBL1640749 0.85 ABL1 (0.47) EGFRITKSLC2A1BRAFABL1
SCHEMBL1640284 0.84 ABL1 (0.50) EGFRSLC2A1BRAFABL1BCR
SCHEMBL13816024 0.82 EGFR (0.48) EGFRSLC2A1BRAFABL1BCR
SCHEMBL12726468 0.81 ABL1 (0.47) EGFRBRAFABL1BCRPDGFRB
SCHEMBL12726479 0.81 AURKA (0.56) EGFRBRAFABL1BCRPDGFRB

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-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
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 EGFR 478/4885ITK 193/4885SLC2A1 2698/4885

“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.