SCHEMBL2160797

SCHEMBL2160797

O=C(Nc1cc(-c2ccccn2)nn1CCc1ccccc1)c1nc(C2CC2)ccc1Nc1cncnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 1.00

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
SCHEMBL2160005 0.92 PDE10A (1.00) PDE10A
SCHEMBL2160787 0.92 PDE10A (1.00) PDE10A
SCHEMBL2159986 0.91 PDE10A (1.00) PDE10A
SCHEMBL2159934 0.90 PDE10A (0.87) PDE10A
SCHEMBL2159936 0.89 PDE10A (1.00) PDE10A
SCHEMBL2160064 0.89 PDE10A (1.00) PDE10A
SCHEMBL2160025 0.89 PDE10A (1.00) PDE10A
SCHEMBL2159935 0.87 PDE10A (1.00) PDE10A
SCHEMBL2160100 0.87 PDE10A (1.00) PDE10A
SCHEMBL2160035 0.87 PDE10A (1.00) PDE10A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183979-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-07-28 US claimed
WO-2011089132-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-07-28 WO claimed
US-8470820-B2 Nitrogen-containing heteroaryl derivatives HOFFMAN-LA ROCHE INC. (US) 2013-06-25 US disclosed
US-8470820-B2 Nitrogen-containing heteroaryl derivatives HOFFMAN-LA ROCHE INC. (US) 2013-06-25 US disclosed
US-20110183979-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-07-28 US disclosed
US-20110183979-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-07-28 US disclosed
US-20110183979-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-07-28 US disclosed
WO-2011089132-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-07-28 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-20110183979-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES PDE3A, PDE2A, PDE10A PDE10A 3/4885

“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.