SCHEMBL474187

SCHEMBL474187

Nc1nc(-c2ccc(F)c(C(F)(F)F)c2F)cs1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPL P40238 7/20 0.60
TYR P14679 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX5 P09917 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 2/20 0.41
LTA4H P09960 1/20 0.41
TRPA1 O75762 6/20 0.41
TRPV4 Q9HBA0 3/20 0.41
TRPV3 Q8NET8 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39

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
SCHEMBL29689702 1.00 MPL (0.60) MPLTYRALDH1A1ALOX5RAB9A
SCHEMBL1802937 0.88 MPL (0.60) MPLTYRALDH1A1ALOX5RAB9A
SCHEMBL474342 0.82 MPL (0.61) MPLTYRALDH1A1ALOX5RAB9A
SCHEMBL1800573 0.81 MPL (0.55) MPLALDH1A1ALOX5RAB9AHSD17B10
SCHEMBL474653 0.79 MPL (0.75) MPLTYRALDH1A1ALOX5RAB9A
SCHEMBL10275635 0.79 MPL (0.64) MPLTYRALDH1A1ALOX5RAB9A
SCHEMBL10087321 0.78 MPL (0.56) MPLTYRALDH1A1ALOX5RAB9A
SCHEMBL10315908 0.78 MPL (0.56) MPLTYRALDH1A1ALOX5RAB9A
SCHEMBL474214 0.78 MPL (0.56) MPLTYRALDH1A1ALOX5RAB9A
SCHEMBL474303 0.75 MPL (1.00) MPLTYRALDH1A1ALOX5RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2708538-B1 Process for preparing fused pyrimidine-dione derivatives, useful as as TRPA1 modulators GLENMARK PHARMACEUTICALS SA (CH) 2015-08-12 EP claimed
US-9000159-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-07 US claimed
US-8987278-B2 Thienopyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2015-03-24 US claimed
US-20140128603-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-05-08 US claimed
EP-2708538-A1 Process for preparing fused pyrimidine-dione derivatives, useful as as TRPA1 modulators Glenmark Pharmaceuticals S.A. (CH) 2014-03-19 EP claimed
US-20130289054-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-10-31 US claimed
CN-114891003-B Novel dihydropyrimidine compound, intermediate or salt, and preparation method and application thereof 成都施贝康生物医药科技有限公司 2023-10-13 CN disclosed
CN-114656472-B Pyrazolopyrimidine compound, isomer or salt, and preparation method and application thereof 成都施贝康生物医药科技有限公司 2023-07-04 CN disclosed
CN-114891003-A Novel dihydropyrimidine compounds, intermediates or salts, and preparation method and application thereof 成都施贝康生物医药科技有限公司 2022-08-12 CN disclosed
CN-114671875-A Novel dihydropyrimidine compound, isomer or salt, and preparation method and application thereof 成都施贝康生物医药科技有限公司 2022-06-28 CN disclosed
CN-114656472-A Pyrazolopyrimidine compound, isomer or salt, and preparation method and application thereof 成都施贝康生物医药科技有限公司 2022-06-24 CN disclosed
EP-2858999-B1 AMIDES OF 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AND THEIR SALTS GLENMARK PHARMACEUTICALS SA (CH) 2017-05-10 EP disclosed
EP-2858999-B1 AMIDES OF 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AND THEIR SALTS GLENMARK PHARMACEUTICALS SA (CH) 2017-05-10 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-2010004390-A1 QUINAZOLINE DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-01-14 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 (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-20140128603-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 MPL 3331/4885TYR 1264/4885ALDH1A1 639/4885
US-20130289054-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV6 MPL 2776/4885TYR 948/4885ALDH1A1 475/4885
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPC3 MPL 4421/4885TYR 1094/4885ALDH1A1 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.