SCHEMBL17088206

SCHEMBL17088206

CS(=O)(=O)OCCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ncccc4n3)cc2)n1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 14/20 0.74
LGALS3 P17931 1/20 0.56
PDE4D Q08499 1/20 0.56
PDE4A P27815 4/20 0.52
PDE4B Q07343 4/20 0.52
PDE3B Q13370 4/20 0.52
PDE3A Q14432 4/20 0.52

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
SCHEMBL187038 0.91 PDE10A (0.73) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL17088211 0.89 PDE10A (0.68) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL187788 0.87 PDE10A (0.72) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL17088207 0.86 PDE10A (0.84) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL17088237 0.85 PDE10A (1.00) PDE10A
SCHEMBL17088231 0.85 PDE10A (1.00) PDE10A
SCHEMBL17088225 0.83 PDE10A (1.00) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL17088230 0.83 PDE10A (1.00) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL1758724 0.83 SLC6A3 (0.74) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL17088203 0.82 PDE10A (0.51) PDE10APDE4APDE4BPDE3BPDE3A

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-20160058894-A1 RADIOLABELED PDE10A LIGANDS ABBVIE DEUTSCHLAND (DE) 2016-03-03 US disclosed
US-20160058894-A1 RADIOLABELED PDE10A LIGANDS ABBVIE DEUTSCHLAND (DE) 2016-03-03 US disclosed
US-9138494-B2 Radiolabeled PDE10A ligands ABBVIE INC. (US) 2015-09-22 US disclosed
US-9138494-B2 Radiolabeled PDE10A ligands ABBVIE INC. (US) 2015-09-22 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-20160058894-A1 RADIOLABELED PDE10A LIGANDS PDE10A, PDE3A, PDE5A PDE10A 1/4885LGALS3 4012/4885PDE4D 16/4885

“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.