SCHEMBL259847

SCHEMBL259847

c1cnc2nc(N3CCOCC3)nn2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
LMNA P02545 2/20 0.49
MET P08581 1/20 0.48
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 7/20 0.47
HPGD P15428 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 5/20 0.45
GAA P10253 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
MAP4K4 O95819 1/20 0.39
PIK3CA P42336 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL31554007 0.74 MET (0.47) HTTLMNAMETKDM4EALDH1A1
SCHEMBL229286 0.73 LMNA (0.57) HTTLMNAKDM4EALDH1A1CYP1A2
SCHEMBL21162487 0.73 PRKDC (0.47) HTTLMNAMETKDM4EALDH1A1
SCHEMBL1989269 0.73 MET (0.46) HTTLMNAMETKDM4EALDH1A1
SCHEMBL6881042 0.72 MAP4K4 (0.55) HTTLMNAMETKDM4EALDH1A1
Benzene SCHEMBL1990709 0.72 MET (0.42) HTTLMNAMETKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7714167 0.72 KDM4E (0.57) HTTLMNAKDM4EALDH1A1HPGD
SCHEMBL22085147 0.71 PIK3CA (0.60) METKDM4EALDH1A1HPGDGAA
SCHEMBL24127177 0.71 LMNA (0.50) HTTLMNAKDM4EALDH1A1HPGD
SCHEMBL1990705 0.69 ALDH1A1 (0.43) HTTLMNAMETKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9592230-B2 Substituted imidazoles as PDE10A inhibitors H. LUNDBECK A/S (DK) 2017-03-14 US disclosed
US-20150190395-A1 Novel Phenylimidazole Derivatives as PDE10A Enzyme Inhibitors H. LUNDBECK A/S (DK) 2015-07-09 US disclosed
US-20150025081-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2015-01-22 US disclosed
US-8865711-B2 Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2014-10-21 US disclosed
US-20120135987-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2012-05-31 US disclosed
US-8133897-B2 Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2012-03-13 US disclosed
US-20100016303-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2010-01-21 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 (4 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-20100016303-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B HTT 661/4885LMNA 3508/4885MET 4477/4885
US-20150190395-A1 Novel Phenylimidazole Derivatives as PDE10A Enzyme Inhibitors PDE10A, PDE5A, PDE3B HTT 661/4885LMNA 3508/4885MET 4477/4885
US-20120135987-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B HTT 661/4885LMNA 3508/4885MET 4477/4885
US-20150025081-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B HTT 661/4885LMNA 3508/4885MET 4477/4885

“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.