SCHEMBL3328875

SCHEMBL3328875

CC(C)(C)OC(=O)Nc1ccc(NS(C)(=O)=O)cn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.48
HDAC1 Q13547 1/20 0.43
MAPKAPK2 P49137 2/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
CYP17A1 P05093 2/20 0.40
GRIN2B Q13224 1/20 0.39
BCL2 P10415 1/20 0.38
PSMB8 P28062 1/20 0.38
GAA P10253 1/20 0.38
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAP4K4 O95819 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
SCHEMBL6609814 0.86 NAMPT (0.52) NAMPTHDAC1MAPKAPK2GSK3BDYRK1A
SCHEMBL17054807 0.85 NAMPT (0.45) NAMPTHDAC1MAPKAPK2GSK3BDYRK1A
SCHEMBL7324243 0.83 NAMPT (0.46) NAMPTHDAC1MAPKAPK2GSK3BDYRK1A
Acetic Acid SCHEMBL28111547 0.82 NAMPT (0.49) NAMPTHDAC1MAPKAPK2GSK3BDYRK1A
SCHEMBL6816043 0.81 CYP17A1 (0.49) NAMPTCYP17A1PSMB8GAASMN1; SMN2
SCHEMBL26728374 0.80 PTK2 (0.54) NAMPTGAASMN1; SMN2
SCHEMBL24364346 0.80 PTPN11 (0.51) NAMPTHDAC1MAPKAPK2GSK3BDYRK1A
SCHEMBL1126145 0.77 RAB9A (0.62) GSK3BDYRK1AGAASMN1; SMN2
SCHEMBL851343 0.77 DEGS1 (0.56) NAMPTGSK3BDYRK1AGRIN2B
SCHEMBL15202881 0.77 NAMPT (0.48) NAMPTHDAC1MAPKAPK2GSK3BDYRK1A

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
EP-2114941-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-03-25 EP disclosed
EP-2114941-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-03-25 EP disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
EP-2114941-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS Astex Therapeutics Limited (GB) 2009-11-11 EP disclosed
WO-2008078091-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-07-03 WO disclosed
WO-2008078091-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-07-03 WO 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 (1 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-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors FGFR3, FGFR1, FGFR2 NAMPT 608/4885HDAC1 174/4885MAPKAPK2 869/4885

“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.