SCHEMBL1611084

SCHEMBL1611084

O=C(O)c1nc(C2CC2)nc(NCc2ccccc2)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.60
PDE4B Q07343 3/20 0.53
PDE4D Q08499 3/20 0.53
CHRM3 P20309 1/20 0.53
PDE4A P27815 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE5A O76074 2/20 0.51
ATM Q13315 1/20 0.48
PLAU P00749 2/20 0.41
KDM5B Q9UGL1 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ASPH Q12797 1/20 0.40
KDM8 Q8N371 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
APP P05067 1/20 0.40
PPARG P37231 1/20 0.39

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
SCHEMBL1609122 0.89 PDE10A (0.48) PDE10APDE4BPDE4DCHRM3PDE4A
SCHEMBL1610059 0.89 PDE10A (0.57) PDE10APDE4BPDE4DCHRM3PDE4A
SCHEMBL1609892 0.89 PDE10A (0.54) PDE10APDE4BPDE4DCHRM3PDE4A
SCHEMBL1609704 0.88 PDE10A (0.62) PDE10APDE4BPDE4DCHRM3PDE4A
SCHEMBL1611392 0.86 PDE10A (0.44) PDE10APDE4BPDE4DCHRM3PDE4A
SCHEMBL1609772 0.85 PDE10A (0.61) PDE10APDE4BPDE4DCHRM3PDE4A
SCHEMBL1610317 0.82 SMN1; SMN2 (0.42) PDE10AKDM4ESMN1; SMN2
SCHEMBL1609959 0.82 PDE10A (0.41) PDE10APDE4BPDE4DCHRM3PDE4A
SCHEMBL1609295 0.80 PDE10A (0.44) PDE10APDE4BPDE4DCHRM3PDE4A
SCHEMBL1609839 0.80 PDE10A (0.52) PDE10APDE4BPDE4DCHRM3PDE4A

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 6 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
EP-2237669-A2 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2010-10-13 EP disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 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 (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 1704/4885PDE4B 1132/4885PDE4D 2126/4885

“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.