SCHEMBL474746

SCHEMBL474746

CC(=O)Nc1nc(-c2cccc(OC(F)(F)F)c2)c[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.51
BRAF P15056 1/20 0.48
XDH P47989 1/20 0.48
ADORA3 P0DMS8 3/20 0.47
ADORA2B P29275 2/20 0.46
ADORA1 P30542 2/20 0.46
ADORA2A P29274 1/20 0.46
PDE10A Q9Y233 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DYRK1A Q13627 1/20 0.45
TRPV3 Q8NET8 1/20 0.44
TYRO3 Q06418 1/20 0.42
DHODH Q02127 1/20 0.42

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
SCHEMBL1856373 0.86 ADORA3 (0.59) BRAFADORA3DYRK1ATRPV3DHODH
SCHEMBL4531243 0.78 ADORA3 (0.50) BRAFADORA3ADORA2BADORA1ADORA2A
SCHEMBL1201878 0.78 ADORA3 (0.55) BRAFADORA3ADORA2BADORA1ADORA2A
SCHEMBL1399796 0.77 IDO1 (0.50) FYNADORA3ADORA2BADORA1ADORA2A
SCHEMBL7232377 0.76 NPC1 (0.58) ADORA3ADORA1NPC1ALDH1A1HPGD
SCHEMBL4519009 0.75 ADORA3 (0.53) ADORA3ADORA2BADORA1ADORA2APDE10A
SCHEMBL6238340 0.75 ADORA3 (0.56) ADORA3ALDH1A1HPGDDYRK1A
SCHEMBL1853282 0.74 NPC1 (0.40) FYNADORA3NPC1ALDH1A1HPGD
SCHEMBL474804 0.74 XDH (0.67) XDHADORA1ADORA2APDE10ADYRK1A
SCHEMBL474679 0.73 KIF11 (0.49) ADORA3CTSSABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9474758-B2 Thienopyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2016-10-25 US disclosed
US-20150150876-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2015-06-04 US disclosed
US-8987278-B2 Thienopyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2015-03-24 US disclosed
CN-102361877-B Thienopyrimidinedione derivatives as trpa1 modulators GLENMARK PHARMACEUTICALS SA 2014-05-07 CN disclosed
US-20130289054-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-10-31 US disclosed
EP-2634191-A1 Process for preparing derivatives of thienopyrimidinedione Glenmark Pharmaceuticals S.A. (CH) 2013-09-04 EP disclosed
US-8507503-B2 Thienopyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-13 US disclosed
EP-2411396-B1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP disclosed
US-20120295924-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-11-22 US disclosed
CN-102361877-A Thienopyrimidinedione derivatives as trpa1 modulators GLENMARK PHARMACEUTICALS SA 2012-02-22 CN disclosed
EP-2411396-A2 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2012-02-01 EP disclosed
WO-2010109334-A2 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 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 (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-20150150876-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV6 FYN 2750/4885BRAF 1580/4885XDH 1893/4885
US-20130289054-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV6 FYN 2750/4885BRAF 1580/4885XDH 1893/4885
US-20120295924-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV6 FYN 2750/4885BRAF 1580/4885XDH 1893/4885

“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.