SCHEMBL2160345

SCHEMBL2160345

Cc1cnc(Nc2cncnc2)c(C(=O)O)n1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.50

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
SCHEMBL9348292 0.83 PIM1 (0.49) PDE10A
SCHEMBL4129926 0.83 GRM5 (0.48) PDE10A
SCHEMBL7455465 0.82 PDE10A (0.57) PDE10A
SCHEMBL2160722 0.82 PDE10A (0.46) PDE10A
SCHEMBL4141530 0.82 HCAR2 (0.40) PDE10A
SCHEMBL7453696 0.81 PDE10A (0.57) PDE10A
SCHEMBL7455231 0.81 PDE10A (0.57) PDE10A
SCHEMBL7462259 0.80 PDE10A (0.59) PDE10A
SCHEMBL7453630 0.80 PDE10A (0.64) PDE10A
SCHEMBL7453814 0.80 PDE10A (0.58) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526098-B1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-07-11 EP claimed
EP-1858862-B1 PYRAZINE -2-CARBOXAMIDE DERIVATIVES AS mGluR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2016-04-20 EP claimed
US-8470820-B2 Nitrogen-containing heteroaryl derivatives HOFFMAN-LA ROCHE INC. (US) 2013-06-25 US claimed
US-20090233944-A1 PYRAZINE-2-CARBOXYAMIDE DERIVATIVES JAESCHKE GEORG 2009-09-17 US claimed
EP-1858862-A1 PYRAZINE -2-CARBOXAMIDE DERIVATIVES AS mGluR5 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-11-28 EP claimed
WO-2006094691-A1 PYRAZINE -2-CARBOXAMIDE DERIVATIVES AS mGluR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO claimed
US-20060199828-A1 Pyrazine-2-carboxyamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-07 US claimed
EP-2526098-B1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-07-11 EP disclosed
EP-2526098-B1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-07-11 EP disclosed
EP-1858862-B1 PYRAZINE -2-CARBOXAMIDE DERIVATIVES AS mGluR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2016-04-20 EP disclosed
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-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
US-20090233944-A1 PYRAZINE-2-CARBOXYAMIDE DERIVATIVES JAESCHKE GEORG 2009-09-17 US disclosed
EP-1858862-A1 PYRAZINE -2-CARBOXAMIDE DERIVATIVES AS mGluR5 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-11-28 EP disclosed
WO-2006094691-A1 PYRAZINE -2-CARBOXAMIDE DERIVATIVES AS mGluR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO disclosed
US-20060199828-A1 Pyrazine-2-carboxyamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-07 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 (3 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-20090233944-A1 PYRAZINE-2-CARBOXYAMIDE DERIVATIVES CNR2, CNR1, CHRNA2 PDE10A 1069/4885
US-20110183979-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES PDE3A, PDE2A, PDE10A PDE10A 3/4885
US-20060199828-A1 Pyrazine-2-carboxyamide derivatives CNR2, CNR1, CHRNA2 PDE10A 1069/4885

“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.