SCHEMBL7517037

SCHEMBL7517037

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.40
SPR P35270 1/20 0.37
ADORA2A P29274 2/20 0.35
LMNA P02545 1/20 0.34
NAMPT P43490 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE11A Q9HCR9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL7512089 0.93 PDE10A (0.41) PDE10ALMNANAMPTALDH1A1KMT2A
SCHEMBL15402162 0.88 PDE10A (0.40) PDE10ALMNAALDH1A1MAPT
SCHEMBL7515229 0.88 PDE10A (0.40) PDE10ASPRLMNAL3MBTL1ALDH1A1
SCHEMBL15402288 0.87 PDE10A (0.41) PDE10ALMNAALDH1A1MAPT
SCHEMBL7511706 0.86 TP53 (0.41) PDE10ASPRL3MBTL1MAPTKMT2A
SCHEMBL7511119 0.80 LMNA (0.38) PDE10ALMNAALDH1A1MAPTKMT2A
SCHEMBL7522327 0.80 APOBEC3A (0.49) PDE10ASPRLMNAL3MBTL1ALDH1A1
SCHEMBL15402744 0.79 PDE10A (0.42) PDE10ALMNAALDH1A1MAPT
SCHEMBL15401874 0.79 PDE10A (0.42) PDE10ALMNAL3MBTL1ALDH1A1MAPT
SCHEMBL2374107 0.78 SPR (0.44) PDE10ASPRLMNAL3MBTL1PDE11A

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 10 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
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 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-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS PDE10A, PDE3A, PDE2A PDE10A 1/4885SPR 682/4885ADORA2A 66/4885

“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.