SCHEMBL1885308

SCHEMBL1885308

CS(=O)(=O)c1ncc(Cc2cn(S(=O)(=O)c3ccccc3)c3ncc(F)cc23)cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.40
BRD4 O60885 3/20 0.40
ALK Q9UM73 1/20 0.37
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
HTR7 P34969 2/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR1F P30939 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2A P28223 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33

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
SCHEMBL1883574 0.89 BRD4 (0.44) HTR6BRD4ALKCCNE1CDK2
SCHEMBL1267361 0.88 HTR6 (0.40) HTR6BRD4ALKCCNE1CDK2
SCHEMBL2111701 0.85 HTR6 (0.41) HTR6BRD4ALKCCNE1CDK2
SCHEMBL1268147 0.84 HTR6 (0.57) HTR6ALKCCNE1CDK2HTR7
SCHEMBL1885535 0.76 CYP2C9 (0.47) HTR6HTR7HTR1ADRD2HTR1D
SCHEMBL12675766 0.75 HTR6 (0.39) HTR6BRD4ALKCCNE1CDK2
SCHEMBL3828152 0.75 HTR6 (0.40) HTR6BRD4ALKCCNE1CDK2
SCHEMBL2545192 0.74 BRD4 (0.40) HTR6BRD4ALKCCNE1CDK2
SCHEMBL1887325 0.74 BRD4 (0.58) HTR6BRD4HTR7HTR1ADRD2
SCHEMBL25596606 0.74 BRD4 (0.43) HTR6BRD4HTR7HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
EP-2496086-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-12 EP disclosed
WO-2011057022-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-12 WO disclosed
US-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-05-12 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 (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-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF HTR6 2004/4885BRD4 3163/4885ALK 112/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF HTR6 2004/4885BRD4 3163/4885ALK 112/4885

“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.