SCHEMBL288338

SCHEMBL288338

O=C(Nc1c(F)ccc(NS(=O)(=O)c2cccc(F)c2)c1F)c1cnc2[nH]cnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.49
BRAF P15056 6/20 0.47
CYP2C9 P11712 2/20 0.44
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SLC10A2 Q12908 1/20 0.40
SLC10A1 Q14973 1/20 0.40
SLC10A6 Q3KNW5 1/20 0.40
MAPT P10636 3/20 0.40
ERN1 O75460 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
STAT3 P40763 1/20 0.39
MAP3K20 Q9NYL2 1/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC3 O15379 1/20 0.38

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
SCHEMBL288448 0.89 BRAF (0.49) CYP3A4BRAFCYP2C9
SCHEMBL287808 0.88 BRAF (0.39) CYP3A4BRAFCYP2C9LMNASMN1; SMN2
SCHEMBL288109 0.88 CYP2D6 (0.42) CYP3A4BRAFERN1HDAC3
SCHEMBL288410 0.87 CYP2C9 (0.48) CYP3A4BRAFCYP2C9ERN1HDAC3
SCHEMBL287946 0.86 CYP2C19 (0.42) BRAFCYP2C9LMNAERN1KDM4E
SCHEMBL299278 0.86 MAP3K20 (0.52) CYP3A4BRAFCYP2C9MAP3K20
SCHEMBL287818 0.85 BRAF (0.46) BRAFCYP2C9ERN1KDM4E
SCHEMBL16162106 0.85 CYP3A4 (0.47) CYP3A4BRAFCYP2C9SLC10A2SLC10A1
SCHEMBL300408 0.85 BRAF (0.46) CYP3A4BRAFCYP2C9MAPT
SCHEMBL299820 0.84 BRAF (0.44) CYP3A4BRAFCYP2C9LMNASMN1; SMN2

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 22 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
US-20160168146-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2016-06-16 US 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 (11 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 CYP3A4 4658/4885BRAF 48/4885CYP2C9 4746/4885
US-20160168146-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885BRAF 48/4885CYP2C9 4746/4885
US-20130237531-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885BRAF 48/4885CYP2C9 4746/4885
US-20210353602-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885BRAF 48/4885CYP2C9 4746/4885
US-20140303187-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885BRAF 48/4885CYP2C9 4746/4885
US-20100190777-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K11, MAP3K10 CYP3A4 3607/4885BRAF 25/4885CYP2C9 3648/4885
US-10426760-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885BRAF 48/4885CYP2C9 4746/4885
US-20190209536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885BRAF 48/4885CYP2C9 4746/4885
US-20190175567-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885BRAF 48/4885CYP2C9 4746/4885
US-20170319559-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885BRAF 48/4885CYP2C9 4746/4885
US-20140038948-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885BRAF 48/4885CYP2C9 4746/4885

“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.