SCHEMBL474804

SCHEMBL474804

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

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.67
PDE10A Q9Y233 2/20 0.49
ADORA1 P30542 2/20 0.49
ADORA2A P29274 1/20 0.49
ATR Q13535 1/20 0.47
KCNH2 Q12809 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
GRM5 P41594 1/20 0.44
SYK P43405 1/20 0.42
NPY5R Q15761 1/20 0.42
DYRK1A Q13627 4/20 0.41
TYRO3 Q06418 1/20 0.41
PDE4B Q07343 1/20 0.41
DHODH Q02127 1/20 0.40
TRPV3 Q8NET8 1/20 0.40

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
SCHEMBL1859703 0.83 XDH (0.47) XDHADORA2AKCNH2SCN10A
SCHEMBL17843990 0.80 MKNK1 (0.53) ADORA1ADORA2ADYRK1A
SCHEMBL16772214 0.79 MAOB (0.46) XDH
SCHEMBL5672965 0.78 XDH (0.51) XDHPDE10AADORA1ADORA2AATR
SCHEMBL311762 0.77 PLAT (0.48) XDHPDE10AKCNH2CTSSCTSK
SCHEMBL14731243 0.77 XDH (0.56) XDHADORA1ADORA2AATRKCNH2
SCHEMBL474335 0.77 MAPT (0.59) XDHADORA1ADORA2AATRKCNH2
SCHEMBL23457617 0.76 XDH (0.52) XDHPDE10AADORA1ADORA2AATR
SCHEMBL29699351 0.76 XDH (0.52) XDHPDE10AADORA1ADORA2AATR
SCHEMBL16835826 0.75 XDH (0.54) XDHADORA1ADORA2AATRKCNH2

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 24 patents — showing the first 20. 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-9474758-B2 Thienopyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2016-10-25 US disclosed
CN-103755720-B Thienopyrimidine derovatives as TRPA1 regulator 格兰马克药品股份有限公司 2016-07-06 CN disclosed
US-20150150876-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2015-06-04 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
US-8987278-B2 Thienopyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2015-03-24 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
US-8507503-B2 Thienopyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-13 US disclosed
US-8507503-B2 Thienopyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-13 US 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
US-20120295924-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-11-22 US 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 XDH 1893/4885PDE10A 2205/4885ADORA1 62/4885
US-20130289054-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV6 XDH 1893/4885PDE10A 2205/4885ADORA1 62/4885
US-20120295924-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV6 XDH 1893/4885PDE10A 2205/4885ADORA1 62/4885

“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.