SCHEMBL288109

SCHEMBL288109

O=C(Nc1c(F)ccc(NS(=O)(=O)c2c(F)cccc2F)c1F)c1cnc2[nH]cnc2c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
BRAF P15056 11/20 0.38
ERN1 O75460 1/20 0.37
KDR P35968 3/20 0.37
SLC40A1 Q9NP59 2/20 0.36
CYP3A4 P08684 1/20 0.36
HDAC3 O15379 1/20 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
SCHEMBL287818 0.90 BRAF (0.46) BRAFERN1
SCHEMBL288338 0.88 CYP3A4 (0.49) BRAFERN1CYP3A4HDAC3
SCHEMBL287622 0.86 BRAF (0.47) BRAFKDRSLC40A1
SCHEMBL288410 0.86 CYP2C9 (0.48) BRAFERN1CYP3A4HDAC3
SCHEMBL288448 0.85 BRAF (0.49) BRAFSLC40A1CYP3A4
SCHEMBL287946 0.85 CYP2C19 (0.42) BRAFERN1HDAC3
SCHEMBL298785 0.85 BRAF (0.48) CYP2D6BRAF
SCHEMBL16162151 0.84 CYP2D6 (0.43) CYP2D6BRAFERN1SLC40A1CYP3A4
SCHEMBL287849 0.84 BRAF (0.51) BRAFHDAC3
SCHEMBL287808 0.84 BRAF (0.39) BRAFCYP3A4

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353602-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-11-18 US disclosed
US-20210346358-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-11-11 US disclosed
US-10426760-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-10-01 US disclosed
US-20190209536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-07-11 US disclosed
US-20190175567-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-06-13 US disclosed
US-9844539-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-12-19 US disclosed
US-9844539-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-12-19 US disclosed
US-20170319559-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-11-09 US disclosed
US-20170319559-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-11-09 US disclosed
US-9469640-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-10-18 US disclosed
EP-2170830-B1 2-FLUORO-BENZENESULFONAMIDE COMPOUNDS AS Raf KINASE MODULATORS PLEXXIKON INC (US) 2014-10-15 EP disclosed
US-20140303187-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-10-09 US disclosed
US-20140303187-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-10-09 US disclosed
US-20140038948-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-06 US disclosed
US-20140038948-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-06 US disclosed
US-20130237531-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-09-12 US disclosed
US-20130237531-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-09-12 US disclosed
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP disclosed
US-20100190777-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2010-07-29 US disclosed
US-20100190777-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2010-07-29 US 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 (10 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-20210346358-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2D6 4480/4885BRAF 48/4885ERN1 433/4885
US-20130237531-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2D6 4480/4885BRAF 48/4885ERN1 433/4885
US-20210353602-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2D6 4480/4885BRAF 48/4885ERN1 433/4885
US-20140303187-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2D6 4480/4885BRAF 48/4885ERN1 433/4885
US-20100190777-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K11, MAP3K10 CYP2D6 2385/4885BRAF 25/4885ERN1 362/4885
US-10426760-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, MAP3K13, MAP3K8 CYP2D6 4480/4885BRAF 48/4885ERN1 433/4885
US-20190209536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2D6 4480/4885BRAF 48/4885ERN1 433/4885
US-20190175567-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2D6 4480/4885BRAF 48/4885ERN1 433/4885
US-20170319559-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2D6 4480/4885BRAF 48/4885ERN1 433/4885
US-20140038948-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2D6 4480/4885BRAF 48/4885ERN1 433/4885

“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.