SCHEMBL16760740

SCHEMBL16760740

CC(C)(C)C(CS(=O)(=O)CC(=O)O)Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 8/20 0.51
GSK3B P49841 8/20 0.51
FLT3 P36888 7/20 0.49
PIK3CG P48736 6/20 0.49
JAK2 O60674 6/20 0.49
SRC P12931 5/20 0.49
ROCK2 O75116 5/20 0.49
ROCK1 Q13464 5/20 0.49
KDR P35968 4/20 0.49
PIK3CD O00329 4/20 0.49
PRKACA P17612 3/20 0.49
PLK1 P53350 4/20 0.47
IRAK4 Q9NWZ3 2/20 0.47
CDK2 P24941 1/20 0.47
PIK3CA P42336 2/20 0.46
PIK3CB P42338 1/20 0.46
SYK P43405 1/20 0.46

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
SCHEMBL16760739 1.00 GSK3A (0.51) GSK3AGSK3BFLT3PIK3CGJAK2
SCHEMBL16760751 0.92
SCHEMBL14685274 0.92
SCHEMBL14677776 0.89 GSK3A (0.52) GSK3AGSK3BFLT3PIK3CGJAK2
SCHEMBL14677770 0.89 GSK3A (0.52) GSK3AGSK3BFLT3PIK3CGJAK2
SCHEMBL14678022 0.88 GSK3A (0.54) GSK3AGSK3BFLT3PIK3CGJAK2
SCHEMBL14685077 0.88 GSK3A (0.54) GSK3AGSK3BFLT3PIK3CGJAK2
SCHEMBL14685103 0.88 GSK3A (0.55) GSK3AGSK3BFLT3PIK3CGJAK2
SCHEMBL14678403 0.88 GSK3A (0.55) GSK3AGSK3BFLT3PIK3CGJAK2
SCHEMBL16760766 0.88 GSK3A (0.54) GSK3AGSK3BFLT3PIK3CGJAK2

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-10875855-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-29 US disclosed
EP-3147284-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2019-09-25 EP disclosed
EP-3147284-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2019-09-25 EP disclosed
US-20180155342-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2018-06-07 US disclosed
US-9908878-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-03-06 US disclosed
EP-3147284-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2017-03-29 EP disclosed
EP-2739623-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2017-01-11 EP disclosed
US-20160355512-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2016-12-08 US disclosed
US-9394302-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-07-19 US disclosed
US-20150191468-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2015-07-09 US disclosed
US-9051319-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-09 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 (4 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-20160355512-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, RNASEH1, ACE2 GSK3A 997/4885GSK3B 924/4885FLT3 845/4885
US-20150191468-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, RNASEH1, ACE2 GSK3A 997/4885GSK3B 924/4885FLT3 845/4885
US-10875855-B2 Inhibitors of influenza viruses replication ACE, RNASEH1, ACE2 GSK3A 997/4885GSK3B 924/4885FLT3 845/4885
US-20180155342-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, RNASEH1, ACE2 GSK3A 997/4885GSK3B 924/4885FLT3 845/4885

“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.