SCHEMBL2545192

SCHEMBL2545192

Cc1cnc2c(c1)c(Cc1cnc(Nc3ccc(S(C)(=O)=O)cc3)nc1)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
ALK Q9UM73 1/20 0.39
CDK2 P24941 4/20 0.38
PTK2 Q05397 4/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
FGFR4 P22455 1/20 0.37
CCNA2 P20248 1/20 0.37
HTR6 P50406 2/20 0.36
CCNE1 P24864 2/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
RIPK2 O43353 1/20 0.35
ACVR1 Q04771 1/20 0.35
NOD2 Q9HC29 1/20 0.35
TNNI3K Q59H18 1/20 0.35
PTGS2 P35354 1/20 0.35
PTK2B Q14289 1/20 0.35
CCNT1 O60563 1/20 0.35

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
SCHEMBL12258418 0.90 BRD4 (0.39) BRD4ALKCDK2FGFR4HTR6
SCHEMBL1883574 0.85 BRD4 (0.44) BRD4PTGDR2ALKCDK2HTR6
SCHEMBL2544624 0.75 CYP3A4 (0.53) CDK2JAK3
SCHEMBL1885308 0.74 HTR6 (0.40) BRD4ALKCDK2HTR6CCNE1
SCHEMBL1267361 0.74 HTR6 (0.40) BRD4ALKCDK2HTR6CCNE1
SCHEMBL4512514 0.72 MAPT (0.43) BRD4CDK2HTR6CCNE1
SCHEMBL1268147 0.71 HTR6 (0.57) PTGDR2ALKCDK2HTR6CCNE1
SCHEMBL3947254 0.70 HTR6 (0.39) BRD4ALKCDK2HTR6CCNE1
SCHEMBL12675766 0.70 HTR6 (0.39) BRD4ALKCDK2HTR6CCNE1
SCHEMBL2111701 0.70 HTR6 (0.41) BRD4ALKCDK2HTR6CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283423-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-10-05 US disclosed
US-20170283423-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-10-05 US disclosed
EP-2560972-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2017-09-20 EP disclosed
US-9682981-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-06-20 US disclosed
US-9682981-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-06-20 US disclosed
US-20150183793-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Opna Bio SA (CH) 2015-07-02 US disclosed
US-20150183793-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Opna Bio SA (CH) 2015-07-02 US disclosed
US-8901118-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-12-02 US disclosed
US-8901118-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-12-02 US disclosed
EP-2560972-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2013-02-27 EP disclosed
WO-2011133637-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-10-27 WO disclosed
WO-2011133637-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-10-27 WO disclosed
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Opna Bio SA (CH) 2011-10-27 US disclosed
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Opna Bio SA (CH) 2011-10-27 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 (3 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-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, NTRK1, PRKDC BRD4 4349/4885PTGDR2 2027/4885ALK 118/4885
US-20170283423-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, PRKDC, NTRK1 BRD4 4399/4885PTGDR2 1937/4885ALK 158/4885
US-20150183793-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, PRKDC, NTRK1 BRD4 4330/4885PTGDR2 1940/4885ALK 113/4885

“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.