SCHEMBL12726216

SCHEMBL12726216

Nc1nc(-c2cccc(NC(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Nc3cccc(CCS(N)(=O)=O)c3)n2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 3/20 0.52
▸ SLC2A1 P11166 3/20 0.51
▸ IGF1R P08069 8/20 0.50
▸ EGFR P00533 7/20 0.48
▸ ERBB2 P04626 6/20 0.48
▸ PKMYT1 Q99640 1/20 0.47
▸ KDR P35968 3/20 0.46
▸ AURKB Q96GD4 3/20 0.46
▸ PRKD3 O94806 2/20 0.46
▸ MAP4K4 O95819 2/20 0.46
▸ LCK P06239 2/20 0.46
▸ FYN P06241 2/20 0.46
▸ CSF1R P07333 2/20 0.46
▸ RET P07949 2/20 0.46
▸ MAP4K2 Q12851 2/20 0.46
▸ STK3 Q13188 2/20 0.46
▸ TAOK1 Q7L7X3 2/20 0.46
▸ MAP4K5 Q9Y4K4 2/20 0.46
▸ AURKA O14965 2/20 0.46
▸ CHEK2 O96017 1/20 0.46

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
SCHEMBL1641958 0.89 IGF1R (0.51) BRAFSLC2A1IGF1REGFRERBB2
SCHEMBL1640516 0.87 EGFR (0.43) BRAFSLC2A1IGF1REGFRERBB2
SCHEMBL12726212 0.86 BRAF (0.58) BRAFSLC2A1IGF1REGFRERBB2
SCHEMBL12726205 0.86 SLC2A1 (0.67) BRAFSLC2A1IGF1REGFRERBB2
SCHEMBL1641738 0.85 IGF1R (0.69) BRAFSLC2A1IGF1REGFRERBB2
SCHEMBL3442283 0.81 SLC2A1 (0.75) BRAFSLC2A1IGF1REGFRERBB2
SCHEMBL1641709 0.81 SLC2A1 (0.56) BRAFSLC2A1IGF1REGFRERBB2
SCHEMBL1640283 0.81 BRAF (0.53) BRAFSLC2A1IGF1REGFRERBB2
SCHEMBL1641934 0.81 SLC2A1 (0.56) BRAFSLC2A1IGF1REGFRERBB2
SCHEMBL1641693 0.80 BRAF (0.54) BRAFSLC2A1IGF1REGFRERBB2

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-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 BRAF 151/4885SLC2A1 2698/4885IGF1R 396/4885

“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.

Send feedback