SCHEMBL1609794

SCHEMBL1609794

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.43
MDM2 Q00987 4/20 0.36
IDO1 P14902 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
LRRK2 Q5S007 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BCL6 P41182 1/20 0.32
NR1I2 O75469 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
IDH1 O75874 1/20 0.31
IDH2 P48735 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL1609224 0.94 PDE10A (0.43) PDE10AMDM2
SCHEMBL1610749 0.81 SLC6A3 (0.38) PDE10AMDM2IDO1ALDH1A1SMN1; SMN2
SCHEMBL1610335 0.81 PDE10A (0.48) PDE10A
SCHEMBL1609803 0.80 PDE10A (0.50) PDE10AIDO1ALDH1A1SMN1; SMN2IDH1
SCHEMBL1610170 0.80 PDE10A (0.50) PDE10AALDH1A1IDH1
SCHEMBL1610708 0.80 PDE10A (0.41) PDE10ANR1I2CYP3A4CYP2D6
SCHEMBL12712859 0.79 PDE10A (0.52) PDE10A
SCHEMBL12712873 0.79 PDE10A (0.52) PDE10A
SCHEMBL1610047 0.79 PDE10A (0.49) PDE10A
SCHEMBL1609362 0.79 PDE10A (0.40) PDE10AALDH1A1SMN1; SMN2HSD17B10

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 4 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
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 (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 1704/4885MDM2 167/4885IDO1 201/4885

“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.