SCHEMBL16245461

SCHEMBL16245461

Nc1nc(C2CC2)nc(C(=O)O)c1Cl.[KH]

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
PDE4B Q07343 2/20 0.33
PDE4D Q08499 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PDE8B O95263 2/20 0.32

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
SCHEMBL29372042 0.98 PDE10A (0.46) PDE10ATDP1PDE4BPDE4DHCAR2
SCHEMBL287902 0.98 PDE10A (0.46) PDE10ATDP1PDE4BPDE4DHCAR2
Water SCHEMBL1581295 0.97 PDE10A (0.45) PDE10ATDP1PDE4BPDE4DHCAR2
SCHEMBL1535584 0.97 PDE10A (0.45) PDE10ATDP1PDE4BPDE4DHCAR2
Potassium Ion SCHEMBL3357867 0.82 PDE10A (0.44) PDE10APDE8B
Potassium Ion SCHEMBL29409824 0.82 PDE10A (0.44) PDE10APDE8B
SCHEMBL1535586 0.82 PDE10A (0.47) PDE10APDE8B
SCHEMBL719516 0.81 TDP1 (0.47) PDE10ATDP1PDE4BPDE4DHCAR2
SCHEMBL121762 0.80 PDE10A (0.49) PDE10APDE4D
SCHEMBL29615012 0.80 PDE10A (0.49) PDE10APDE4D

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-9144240-B2 Herbicidal pyrimidines E I DU PONT DE NEMOURS AND COMPANY (US) 2015-09-29 US claimed
US-20140350251-A1 HERBICIDAL PYRIMIDINES CORTEVA AGRISCIENCE LLC 2014-11-27 US claimed
CN-106458958-A Herbicidal propynyl-phenyl compounds 先正达参股股份有限公司 2017-02-22 CN disclosed
CN-102264229-B Herbicidal combination comprising dimethoxytriazinyl-substituted difluoromethanesulfonylanilines BAYER CROPSCIENCE AG 2013-10-30 CN disclosed
CN-102264229-A Herbicidal combination comprising dimethoxytriazinyl-substituted difluoromethanesulfonylanilines 2011-11-30 CN 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-20140350251-A1 HERBICIDAL PYRIMIDINES CBR3, CBR1, DHODH PDE10A 1993/4885TDP1 502/4885PDE4B 3673/4885

“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.