SCHEMBL1642068

SCHEMBL1642068

Cc1nc(-c2cccc(NC(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Nc3cccc(F)c3)n2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.60
CDK2 P24941 4/20 0.60
BRAF P15056 2/20 0.60
PKMYT1 Q99640 1/20 0.53
IGF1R P08069 8/20 0.51
EGFR P00533 6/20 0.51
ERBB2 P04626 6/20 0.51
SLC2A1 P11166 1/20 0.49
AURKA O14965 2/20 0.49
KDR P35968 2/20 0.49
AURKB Q96GD4 2/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
CHEK2 O96017 1/20 0.49
NTRK1 P04629 1/20 0.49
INSR P06213 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
CSF1R P07333 1/20 0.49
LYN P07948 1/20 0.49

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
SCHEMBL12726212 0.90 BRAF (0.58) CDK4CDK2BRAFPKMYT1IGF1R
SCHEMBL1641904 0.87 BRAF (0.51) CDK4CDK2BRAFPKMYT1IGF1R
SCHEMBL12726561 0.86 BRAF (0.54) CDK4CDK2BRAFPKMYT1IGF1R
SCHEMBL1642761 0.86 IGF1R (0.69) BRAFPKMYT1IGF1REGFRERBB2
SCHEMBL1640788 0.86 IGF1R (0.55) BRAFPKMYT1IGF1REGFRERBB2
SCHEMBL1640704 0.84 SLC2A1 (0.58) BRAFPKMYT1IGF1REGFRERBB2
SCHEMBL12766944 0.84 IGF1R (0.54) BRAFPKMYT1IGF1REGFRERBB2
SCHEMBL1641082 0.83 BRAF (0.54) CDK4CDK2BRAFPKMYT1IGF1R
SCHEMBL1641857 0.83 SLC2A1 (0.54) BRAFPKMYT1IGF1REGFRERBB2
SCHEMBL1642448 0.82 CDK2 (0.55) CDK4CDK2BRAFIGF1REGFR

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 5 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
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 CDK4 40/4885CDK2 34/4885BRAF 151/4885

“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.