SCHEMBL1610059

SCHEMBL1610059

O=C(NCc1ccccc1)c1nc(C2CC2)nc(NCc2ccccc2)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.57
PDE5A O76074 1/20 0.51
PDE4B Q07343 3/20 0.50
PDE4D Q08499 3/20 0.50
CHRM3 P20309 1/20 0.50
PDE4A P27815 1/20 0.50
PDE4C Q08493 1/20 0.50
PPARG P37231 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IGF1R P08069 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41

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) PDE10APDE5APDE4BPDE4DCHRM3
SCHEMBL1609704 0.85 PDE10A (0.62) PDE10APDE5APDE4BPDE4DCHRM3
SCHEMBL1609772 0.82 PDE10A (0.61) PDE10APDE5APDE4BPDE4DCHRM3
SCHEMBL1610230 0.80 CHRM3 (0.53) PDE4BPDE4DCHRM3PDE4APDE4C
SCHEMBL1610417 0.80 SMN1; SMN2 (0.48) KMT2AMEN1ALDH1A1TP53MAPT
SCHEMBL1609892 0.79 PDE10A (0.54) PDE10APDE5APDE4BPDE4DCHRM3
SCHEMBL1609122 0.79 PDE10A (0.48) PDE10APDE5APDE4BPDE4DCHRM3
SCHEMBL1609839 0.77 PDE10A (0.52) PDE10APDE5APDE4BPDE4DCHRM3
SCHEMBL1611392 0.76 PDE10A (0.44) PDE10APDE5APDE4BPDE4DCHRM3
SCHEMBL1609147 0.76 PDE10A (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019227771-A1 SUBSTITUTED PYRIMIDINE-4-FORMIC ACID DERIVATIVE, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 (CN) 2019-12-05 WO 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 1704/4885PDE5A 1238/4885PDE4B 1132/4885

“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.