SCHEMBL1641081

SCHEMBL1641081

CNc1nc(-c2cccc(NC(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Cl)n2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.49
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PKMYT1 Q99640 1/20 0.43
ALDH1A1 P00352 1/20 0.43
IGF1R P08069 5/20 0.42
EGFR P00533 4/20 0.42
ERBB2 P04626 4/20 0.42
SLC2A1 P11166 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 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
SCHEMBL1641694 0.92 BRAF (0.49) BRAFMAPTTP53MEN1KMT2A
SCHEMBL1641688 0.91 BRAF (0.48) BRAFMAPTTP53MEN1KMT2A
SCHEMBL1641904 0.89 BRAF (0.51) BRAFMAPTTP53MEN1KMT2A
SCHEMBL1640498 0.88 BRAF (0.49) BRAFMAPTTP53MEN1KMT2A
SCHEMBL1641867 0.88 BRAF (0.47) BRAFMAPTTP53MEN1KMT2A
SCHEMBL1640542 0.88 BRAF (0.46) BRAFMAPTTP53MEN1KMT2A
SCHEMBL1639294 0.87 BRAF (0.49) BRAFMAPTTP53PKMYT1IGF1R
SCHEMBL1642030 0.87 BRAF (0.64) BRAFMAPTTP53PKMYT1IGF1R
SCHEMBL1640568 0.87 BRAF (0.49) BRAFMAPTTP53PKMYT1IGF1R
SCHEMBL1641100 0.87 BRAF (0.54) BRAFMAPTTP53PKMYT1IGF1R

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 BRAF 151/4885CCNT1 1086/4885CDK9 63/4885

“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.