SCHEMBL10286221

SCHEMBL10286221

C=Cc1c(C)nc(C2CC2)nc1SC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.35
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CHRM3 P20309 3/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL10286224 0.80
SCHEMBL10286222 0.77 PDE10A (0.45) PDE10APKMCHRM3PDE4APDE4B
SCHEMBL719004 0.74 TSHR (0.36) KDM4EL3MBTL1
SCHEMBL14440830 0.65 PDE10A (0.58) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL8343228 0.61 PDE10A (0.48) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL22950609 0.59 PKM (0.32) PKM
SCHEMBL24798622 0.58 PDE10A (0.54) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL9797831 0.58 PDXK (0.32)
SCHEMBL10285697 0.57
SCHEMBL12338401 0.57 PDE10A (0.38) 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 1 patent. 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

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 1953/4885PKM 1703/4885KDM4E 2202/4885

“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.