SCHEMBL480890

SCHEMBL480890

O=C(CBr)Nc1nc(-c2cc(Cl)c(OCC3CCC3)c(Cl)c2)cs1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.46
TRPA1 O75762 5/20 0.43
CLK1 P49759 1/20 0.42
MAPT P10636 3/20 0.40
PI4KB Q9UBF8 1/20 0.40
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 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
SCHEMBL4408309 0.97 ABL1 (0.45) ABL1TRPA1CLK1MAPTPI4KB
SCHEMBL2447447 0.96 ABL1 (0.47) ABL1TRPA1CLK1MAPTPI4KB
SCHEMBL2445205 0.93 FFAR4 (0.47) ABL1TRPA1MAPK1LMNARAB9A
SCHEMBL2445209 0.89 FFAR4 (0.50) ABL1TRPA1MAPK1RAB9AMEN1
SCHEMBL480419 0.88 FFAR4 (0.48) TRPA1MAPK1LMNARAB9AMEN1
SCHEMBL2450413 0.87 ABL1 (0.51) ABL1TRPA1CLK1MAPTRAB9A
SCHEMBL481106 0.84 TRPA1 (0.45) TRPA1MAPK1LMNARAB9AMEN1
SCHEMBL2443035 0.83 MAPT (0.49) ABL1TRPA1CLK1MAPTPI4KB
SCHEMBL2450859 0.81 TRPA1 (0.48) ABL1TRPA1CLK1MAPTPI4KB
SCHEMBL480792 0.81 TRPA1 (0.61) ABL1TRPA1CLK1MAPTPI4KB

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 19 patents. 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 disclosed
US-9000159-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-07 US disclosed
US-9000159-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-07 US disclosed
US-9000159-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-07 US disclosed
US-20140128603-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-05-08 US disclosed
US-20140128603-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-05-08 US disclosed
US-20140128603-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-05-08 US disclosed
EP-2708538-A1 Process for preparing fused pyrimidine-dione derivatives, useful as as TRPA1 modulators Glenmark Pharmaceuticals S.A. (CH) 2014-03-19 EP disclosed
EP-2411393-B1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2014-01-22 EP disclosed
US-8623880-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2014-01-07 US disclosed
US-8623880-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2014-01-07 US disclosed
US-8623880-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2014-01-07 US disclosed
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 US disclosed
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 US disclosed
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 US disclosed
EP-2411393-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2012-02-01 EP disclosed
WO-2011114184-A1 AMIDES OF HETEROCYCLIC COMPOUNDS AS TRPA1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-09-22 WO disclosed
WO-2011114184-A1 AMIDES OF HETEROCYCLIC COMPOUNDS AS TRPA1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-09-22 WO disclosed
WO-2010109287-A1 FUSED PYRIMIDINE-DIONE 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 (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-20140128603-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 ABL1 3778/4885TRPA1 1/4885CLK1 3530/4885
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS TRPA1, TRPV1, TRPC3 ABL1 3574/4885TRPA1 1/4885CLK1 3692/4885

“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.