SCHEMBL7522327

SCHEMBL7522327

CCN(CC)C(=O)c1c(N)cnn1C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
MAPT P10636 3/20 0.40
PDE10A Q9Y233 3/20 0.38
HPGD P15428 3/20 0.38
TSPO P30536 1/20 0.36
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDR P35968 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SPR P35270 1/20 0.33

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
SCHEMBL15402304 0.90 PDE10A (0.42) APOBEC3AAPOBEC3GMAPTPDE10A
SCHEMBL7515229 0.85 PDE10A (0.40) APOBEC3AAPOBEC3GMAPTPDE10AKMT2A
SCHEMBL7511119 0.81 LMNA (0.38) MAPTPDE10AKMT2AALDH1A1LMNA
SCHEMBL7517037 0.80 PDE10A (0.40) MAPTPDE10AKMT2AALDH1A1LMNA
SCHEMBL7512089 0.78 PDE10A (0.41) APOBEC3AAPOBEC3GPDE10AHPGDKMT2A
SCHEMBL24611908 0.77 KMT2A (0.36) MAPTKMT2AALDH1A1LMNAL3MBTL1
SCHEMBL15402162 0.76 PDE10A (0.40) APOBEC3AMAPTPDE10AALDH1A1LMNA
SCHEMBL7516018 0.75 PDE10A (0.39) MAPTPDE10AHPGDKMT2AALDH1A1
SCHEMBL7516318 0.75 PDE10A (0.39) MAPTPDE10AALDH1A1LMNA
SCHEMBL15402288 0.75 PDE10A (0.41) MAPTPDE10AALDH1A1LMNA

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 12 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

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 APOBEC3A 2353/4885APOBEC3G 3039/4885MAPT 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.