SCHEMBL474436

SCHEMBL474436

Nc1nc(-c2ccc(F)c(OC(F)(F)F)c2)cs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 4/20 0.63
RAB9A P51151 9/20 0.58
ALDH1A1 P00352 7/20 0.58
NPC1 O15118 7/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
ALOX5 P09917 1/20 0.51
MAPT P10636 7/20 0.50
KDM4E B2RXH2 3/20 0.50
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
AR P10275 1/20 0.48
GFER P55789 1/20 0.48
LTA4H P09960 3/20 0.46
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL474281 0.89 RAB9A (0.70) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL17407207 0.84 RAB9A (0.53) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL474184 0.84 MPL (0.51) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL1801171 0.83 MPL (0.64) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL17400472 0.83 ALDH1A1 (0.67) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL474418 0.82 ALDH1A1 (0.53) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL16772232 0.80 RAB9A (0.58) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL10315632 0.78 MPL (0.60) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL126685 0.78 MPL (0.69) MPLRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL128039 0.78 MPL (1.00) MPLRAB9AALDH1A1NPC1SMN1; SMN2

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2963036-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF ASTELLAS PHARMA INC (JP) 2019-08-28 EP disclosed
US-9562044-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2017-02-07 US disclosed
US-9562044-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2017-02-07 US disclosed
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-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2016-01-07 US disclosed
US-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2016-01-07 US disclosed
EP-2963036-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF Astellas Pharma Inc. (JP) 2016-01-06 EP disclosed
EP-2708538-B1 Process for preparing fused pyrimidine-dione derivatives, useful as as TRPA1 modulators GLENMARK PHARMACEUTICALS SA (CH) 2015-08-12 EP disclosed
WO-2010109328-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 WO disclosed
WO-2010109328-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 WO disclosed
WO-2010109334-A2 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 WO disclosed
WO-2010109329-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 WO disclosed
WO-2010109287-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-09-30 WO disclosed
WO-2010109287-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-09-30 WO disclosed
WO-2010004390-A1 QUINAZOLINE DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-01-14 WO disclosed
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 US disclosed
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 US disclosed
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 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-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF CHRM3, CHRM2, CHRM5 MPL 3292/4885RAB9A 2669/4885ALDH1A1 1565/4885
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPC3 MPL 4421/4885RAB9A 2497/4885ALDH1A1 871/4885

“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.