SCHEMBL7511119

SCHEMBL7511119

CN(C)C(=O)c1c(N)cnn1C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PDE10A Q9Y233 2/20 0.34
MAP4K1 Q92918 1/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL7516318 0.83 PDE10A (0.39) LMNAALDH1A1MAPTPDE10AHTT
SCHEMBL7515229 0.83 PDE10A (0.40) LMNAALDH1A1MAPTPDE10AKMT2A
SCHEMBL7516018 0.83 PDE10A (0.39) LMNAALDH1A1MAPTPDE10AHTT
SCHEMBL7522327 0.81 APOBEC3A (0.49) LMNAALDH1A1MAPTPDE10AKMT2A
SCHEMBL7517037 0.80 PDE10A (0.40) LMNAALDH1A1MAPTPDE10AKMT2A
SCHEMBL7514568 0.80 PDE10A (0.42) LMNAALDH1A1PDE10A
SCHEMBL15402162 0.80 PDE10A (0.40) LMNAALDH1A1MAPTPDE10ASMN1; SMN2
SCHEMBL7512089 0.79 PDE10A (0.41) LMNAALDH1A1PDE10AKMT2ASMN1; SMN2
SCHEMBL15402288 0.79 PDE10A (0.41) LMNAALDH1A1MAPTPDE10A
SCHEMBL7449090 0.79 KMT2A (0.36) LMNAALDH1A1MAPTHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2580207-B1 NITROGEN CONTAINING HETEROARYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-09-27 EP claimed
US-8703768-B2 Nitrogen containing heteroaryl compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US claimed
US-8623866-B2 2014-01-07 US claimed
EP-2580207-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2013-04-17 EP claimed
WO-2011154327-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 WO claimed
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 US claimed
EP-2580207-B1 NITROGEN CONTAINING HETEROARYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-09-27 EP disclosed
US-8703768-B2 Nitrogen containing heteroaryl compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US disclosed
US-8623866-B2 2014-01-07 US disclosed
EP-2580207-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2013-04-17 EP disclosed
WO-2011154327-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 WO disclosed
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 US disclosed
EP-0023707-B1 SUBSTITUTED TETRAAZATRICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-04-30 EP disclosed
EP-0064775-A1 Substituted tetraazatricyclic compounds, process for their preparation and their use Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-11-17 EP disclosed
US-4317823-A FOR TREATMENT OF GASTROINTESTINAL DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-03-02 US disclosed
EP-0023707-A1 Substituted tetraazatricyclic compounds, process for their preparation, their use and medicines containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1981-02-11 EP 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-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS PDE10A, PDE3A, PDE2A LMNA 2125/4885ALDH1A1 271/4885MAPT 4100/4885

“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.