SCHEMBL2018329

SCHEMBL2018329

COC(=O)Nc1ccc(F)c(C(O)c2c[nH]c3ncc(Br)cc23)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.47
ITK Q08881 3/20 0.36
PLK4 O00444 2/20 0.36
AURKA O14965 2/20 0.36
MAP4K4 O95819 2/20 0.36
FES P07332 2/20 0.36
FGFR1 P11362 2/20 0.36
FLT1 P17948 2/20 0.36
KDR P35968 2/20 0.36
FLT3 P36888 2/20 0.36
FRK P42685 2/20 0.36
CLK2 P49760 2/20 0.36
LIMK1 P53667 2/20 0.36
MINK1 Q8N4C8 2/20 0.36
HIPK4 Q8NE63 2/20 0.36
AURKB Q96GD4 2/20 0.36
SLK Q9H2G2 2/20 0.36
HIPK2 Q9H2X6 2/20 0.36
MAP3K20 Q9NYL2 2/20 0.36
MAP4K5 Q9Y4K4 2/20 0.36

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
SCHEMBL12633999 0.91 BRAF (0.42) BRAFITKPLK4AURKAMAP4K4
SCHEMBL413743 0.91 BRAF (0.44) BRAFITKPLK4AURKAMAP4K4
SCHEMBL414042 0.89 BRAF (0.42) BRAFITKPLK4AURKAMAP4K4
SCHEMBL412497 0.89 MTNR1B (0.39) BRAFITKMAP4K4FESFGFR1
SCHEMBL858655 0.87 BRAF (0.45) BRAFITKPLK4AURKAMAP4K4
SCHEMBL858696 0.87 BRAF (0.42) BRAFITKPLK4AURKAMAP4K4
SCHEMBL1085675 0.84 BRAF (0.34) BRAFITKLIMK1ROCK2BTK
SCHEMBL414796 0.83 BRAF (0.44) BRAFMAP4K4FLT1KDRCLK2
SCHEMBL414898 0.83 NEK1 (0.47) DYRK1AAXLKITCLK1RIPK1
SCHEMBL298117 0.82 BRAF (0.40) BRAFITKPLK4AURKAMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US disclosed
EP-2516438-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-10-31 EP disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 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 (2 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-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS BRAF 1/4885ITK 50/4885PLK4 550/4885
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS BRAF 1/4885ITK 50/4885PLK4 550/4885

“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.