SCHEMBL721836

SCHEMBL721836

Cc1c(Cl)nc(C2CC2)nc1OCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.53
NR1I2 O75469 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 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
SCHEMBL718995 0.86 PDE10A (0.50) PDE10ANR1I2CYP3A4CYP2D6
SCHEMBL10285913 0.78 PDE10A (0.54) PDE10ANR1I2CYP3A4CYP2D6
SCHEMBL1610787 0.77 PDE10A (0.41) PDE10ANR1I2CYP3A4CYP2D6
SCHEMBL718535 0.75 TSHR (0.41) PDE10A
SCHEMBL12180250 0.72 PDE10A (0.63) PDE10ANR1I2CYP3A4CYP2D6
SCHEMBL275864 0.72 PDE10A (1.00) PDE10ANR1I2CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL1609867 0.71 PDE10A (0.39) PDE10ANR1I2CYP3A4CYP2D6
SCHEMBL13769259 0.71 TSHR (0.42) PDE10ANR1I2CYP3A4CYP2D6
SCHEMBL718722 0.71 ALOX5AP (0.36) PDE10A
SCHEMBL934741 0.71 PDE10A (0.43) 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
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

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 1953/4885NR1I2 3339/4885CYP3A4 389/4885

“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.