SCHEMBL719801

SCHEMBL719801

COC(=O)COc1nc(C2CC2)nc(N)c1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.44
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
TKT P29401 1/20 0.35
ALDH1A1 P00352 2/20 0.34
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MAP3K12 Q12852 1/20 0.33
DGAT1 O75907 1/20 0.33
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE8B O95263 1/20 0.32
LDHA P00338 1/20 0.32
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL718535 0.90 TSHR (0.41) PDE10ATSHRMAPK1ALDH1A1PTGDR
SCHEMBL13769259 0.86 TSHR (0.42) PDE10ATSHRMAPK1ALDH1A1PTGDR
SCHEMBL717059 0.85 TSHR (0.38) PDE10ATSHRMAPK1ALDH1A1PTGDR
SCHEMBL718995 0.84 PDE10A (0.50) PDE10APTGDRPTGDR2
SCHEMBL1609158 0.79 PDE10A (0.39) PDE10ATSHRMAPK1ALDH1A1
SCHEMBL10286727 0.76 PDE10A (0.47) PDE10ATKTPDE8B
SCHEMBL718722 0.75 ALOX5AP (0.36) PDE10ATSHRMAPK1ALDH1A1MEN1
SCHEMBL10252045 0.73 PDE10A (0.50) PDE10ATSHRMAPK1TKTALDH1A1
SCHEMBL12713474 0.71 KDM4E (0.35) PDE10ATSHRALDH1A1MEN1HPGD
SCHEMBL721836 0.69 PDE10A (0.53) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
EP-2396306-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2011-12-21 EP disclosed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 WO disclosed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 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 (1 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-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES DPYD, DHODH, TYMP PDE10A 1953/4885TSHR 1099/4885MAPK1 1922/4885

“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.