SCHEMBL718649

SCHEMBL718649

O=C(O)c1nc(C2CC2)nc(O)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
PDE4B Q07343 3/20 0.37
PDE4D Q08499 3/20 0.37
PDE10A Q9Y233 2/20 0.37
HCAR2 Q8TDS4 3/20 0.34
RORC P51449 2/20 0.30
SMURF2 Q9HAU4 1/20 0.30
SMURF1 Q9HCE7 1/20 0.30

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
SCHEMBL719516 0.84 TDP1 (0.47) TDP1PDE4BPDE4DPDE10AHCAR2
SCHEMBL5138267 0.81 TDP1 (0.37) TDP1PDE4BPDE4DPDE10AHCAR2
SCHEMBL29372042 0.81 PDE10A (0.46) TDP1PDE4BPDE4DPDE10AHCAR2
SCHEMBL287902 0.81 PDE10A (0.46) TDP1PDE4BPDE4DPDE10AHCAR2
SCHEMBL4430199 0.80 PDE10A (0.48) PDE4BPDE4DPDE10A
SCHEMBL16245461 0.79 PDE10A (0.45) TDP1PDE4BPDE4DPDE10AHCAR2
SCHEMBL1535584 0.79 PDE10A (0.45) TDP1PDE4BPDE4DPDE10AHCAR2
Water SCHEMBL1581295 0.79 PDE10A (0.45) TDP1PDE4BPDE4DPDE10AHCAR2
SCHEMBL5752308 0.78 TDP1 (0.42) TDP1PDE4BPDE4DPDE10AHCAR2
SCHEMBL1609597 0.76 PDE10A (0.46) PDE4BPDE4DPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102395568-A Pyrimidine derivatives and their use as herbicides SYNGENTA LTD 2012-03-28 CN 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
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
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
CN-101938905-A Chemical compounds SYNGENTA LTD 2011-01-05 CN disclosed
EP-2237669-A2 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2010-10-13 EP disclosed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 WO disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 TDP1 344/4885PDE4B 1132/4885PDE4D 2126/4885
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES DPYD, DHODH, TYMP TDP1 274/4885PDE4B 1078/4885PDE4D 1603/4885

“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.