SCHEMBL1609122

SCHEMBL1609122

O=C(O)c1nc(C2CC2)nc(NCc2ccc(F)cc2)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.48
PDE4B Q07343 3/20 0.44
PDE4D Q08499 3/20 0.44
PLAU P00749 2/20 0.43
CHRM3 P20309 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
P4HTM Q9NXG6 1/20 0.41
PDE5A O76074 1/20 0.40
CTNNB1 P35222 3/20 0.39
TCF7L2 Q9NQB0 3/20 0.39
VNN1 O95497 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1611084 0.89 PDE10A (0.60) PDE10APDE4BPDE4DPLAUCHRM3
SCHEMBL1609892 0.88 PDE10A (0.54) PDE10APDE4BPDE4DCHRM3PDE4A
SCHEMBL1609715 0.88 PDE10A (0.48) PDE10APDE4BPDE4DPLAUCHRM3
SCHEMBL1611392 0.81 PDE10A (0.44) PDE10APDE4BPDE4DCHRM3PDE4A
SCHEMBL1610059 0.79 PDE10A (0.57) PDE10APDE4BPDE4DCHRM3PDE4A
SCHEMBL1609147 0.78 PDE10A (0.50) PDE10APDE4BPDE4DCHRM3PDE4A
SCHEMBL1609704 0.78 PDE10A (0.62) PDE10APDE4BPDE4DPLAUCHRM3
SCHEMBL1610317 0.77 SMN1; SMN2 (0.42) PDE10AKMT2A
SCHEMBL1609451 0.77 PDE10A (0.52) PDE10APDE4BPDE4DCHRM3PDE4A
SCHEMBL1609768 0.77 PDE10A (0.49) 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 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 1704/4885PDE4B 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.