SCHEMBL1457763

SCHEMBL1457763

COCCCNC(=O)c1cnn(C)c1C(=O)Nc1cc2nc(-c3ccccc3)cn2cn1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 15/20 0.51
TP53 P04637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL1459314 0.90 PDE10A (0.53) PDE10A
SCHEMBL1458141 0.86 PDE10A (0.69) PDE10ATP53ALDH1A1KDM4E
SCHEMBL6891087 0.85 PDE10A (0.57) PDE10AALDH1A1KDM4E
SCHEMBL1522076 0.85 PDE10A (0.59) PDE10AALDH1A1KDM4E
SCHEMBL6889352 0.85 PDE10A (0.55) PDE10AALDH1A1KDM4E
SCHEMBL6892979 0.84 PDE10A (0.57) PDE10AALDH1A1KDM4E
SCHEMBL2373010 0.84 PDE10A (0.67) PDE10ATP53ALDH1A1
SCHEMBL1457842 0.83 PDE10A (0.53) PDE10ATP53ALDH1A1KDM4E
SCHEMBL6892083 0.82 PDE10A (0.73) PDE10AALDH1A1KDM4E
SCHEMBL1458407 0.81 PDE10A (0.71) PDE10AALDH1A1KDM4E

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-2480546-B1 Imidazopyridine or imidazopyrimidine derivatives as phosphodiesterase 10A inhibitors HOFFMANN LA ROCHE (CH) 2014-12-31 EP claimed
EP-2480546-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP claimed
WO-2011036127-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO claimed
US-20110071128-A1 NOVEL IMIDAZOPYRIDINES HOFFMANN-LA ROCHE, INC. 2011-03-24 US claimed
EP-2480546-B1 Imidazopyridine or imidazopyrimidine derivatives as phosphodiesterase 10A inhibitors HOFFMANN LA ROCHE (CH) 2014-12-31 EP disclosed
EP-2480546-B1 Imidazopyridine or imidazopyrimidine derivatives as phosphodiesterase 10A inhibitors HOFFMANN LA ROCHE (CH) 2014-12-31 EP disclosed
US-8263584-B2 Imidazopyridines HOFFMANN-LA ROCHE INC. (US) 2012-09-11 US disclosed
US-8263584-B2 Imidazopyridines HOFFMANN-LA ROCHE INC. (US) 2012-09-11 US disclosed
EP-2480546-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
US-8017604-B2 Imidazopyridines HOFFMANN-LA ROCHE INC. (US) 2011-09-13 US disclosed
US-8017604-B2 Imidazopyridines HOFFMANN-LA ROCHE INC. (US) 2011-09-13 US disclosed
US-8017604-B2 Imidazopyridines HOFFMANN-LA ROCHE INC. (US) 2011-09-13 US disclosed
WO-2011036127-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110071128-A1 NOVEL IMIDAZOPYRIDINES HOFFMANN-LA ROCHE, INC. 2011-03-24 US disclosed
US-20110071128-A1 NOVEL IMIDAZOPYRIDINES HOFFMANN-LA ROCHE, INC. 2011-03-24 US disclosed
US-20110071128-A1 NOVEL IMIDAZOPYRIDINES HOFFMANN-LA ROCHE, INC. 2011-03-24 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-20110071128-A1 NOVEL IMIDAZOPYRIDINES PDE10A, PDE4A, PDE3A PDE10A 1/4885TP53 4588/4885ALDH1A1 372/4885

“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.