SCHEMBL1610061

SCHEMBL1610061

COC(=O)c1nc(C2CC2)nc(NCc2ccc(C)o2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 16/20 0.43
NR1I2 O75469 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37

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
SCHEMBL1609883 0.89 PDE10A (0.43) PDE10ACLK1CLK2CLK4DYRK1B
SCHEMBL1610033 0.89 PDE10A (0.41) PDE10ANR1I2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL1611594 0.85 LMNA (0.41) CYP3A4CLK1CLK2DYRK1ACLK4
SCHEMBL1608908 0.83 ALDH1A1 (0.43) PDE10ALMNAHTTSMN1; SMN2MAPK1
SCHEMBL1609451 0.82 PDE10A (0.52) PDE10ANR1I2CYP3A4CYP2D6
SCHEMBL1609858 0.82 PDE10A (0.39) PDE10AHTT
SCHEMBL1609687 0.81 PDE10A (0.45) PDE10ANR1I2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL1609704 0.81 PDE10A (0.62) PDE10ACYP3A4
SCHEMBL1609147 0.81 PDE10A (0.50) PDE10ALMNASMN1; SMN2
SCHEMBL1609763 0.80 PDE10A (0.47) PDE10ANR1I2CYP3A4CYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 PDE10A 1704/4885NR1I2 3289/4885CYP3A4 286/4885

“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.