SCHEMBL1458490

SCHEMBL1458490

Cn1ncc(C(=O)N(CCO)CCO)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 14/20 0.79
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 3/20 0.42
RAB9A P51151 3/20 0.42
GFER P55789 2/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.40

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
SCHEMBL6888487 0.91 PDE10A (0.82) PDE10ASMN1; SMN2MAPK1ALDH1A1HPGD
SCHEMBL6889772 0.89 PDE10A (1.00) PDE10ASMN1; SMN2MAPK1ALDH1A1HPGD
SCHEMBL1458246 0.87 PDE10A (0.81) PDE10ASMN1; SMN2MAPK1ALDH1A1HPGD
SCHEMBL1458526 0.86 PDE10A (0.82) PDE10ASMN1; SMN2MAPK1ALDH1A1HPGD
SCHEMBL1457802 0.86 PDE10A (0.73) PDE10ASMN1; SMN2MAPK1ALDH1A1HPGD
SCHEMBL1459322 0.86 PDE10A (0.79) PDE10ASMN1; SMN2MAPK1ALDH1A1HPGD
SCHEMBL1458175 0.86 PDE10A (0.81) PDE10ASMN1; SMN2MAPK1ALDH1A1HPGD
SCHEMBL15780188 0.86 PDE10A (0.81) PDE10ASMN1; SMN2MAPK1ALDH1A1HPGD
SCHEMBL6889025 0.86 PDE10A (0.81) PDE10ASMN1; SMN2MAPK1ALDH1A1HPGD
SCHEMBL6888270 0.85 PDE10A (0.84) PDE10ASMN1; SMN2MAPK1ALDH1A1HPGD

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-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP claimed
US-8017604-B2 Imidazopyridines HOFFMANN-LA ROCHE INC. (US) 2011-09-13 US 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 1/4885SMN1; SMN2 1194/4885MAPK1 1497/4885

“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.