SCHEMBL2054265

SCHEMBL2054265

O=Cc1c[nH]c(-c2ccno2)n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL2456169 0.75 CCR1 (0.37)
SCHEMBL2043379 0.73 ALDH1A1 (0.47) KDM4EALDH1A1NPC1RAB9A
SCHEMBL2559525 0.72
SCHEMBL15331873 0.72 ALDH1A1 (0.37) KDM4EALDH1A1NPC1RAB9A
SCHEMBL15331664 0.72 ADORA2A (0.31)
SCHEMBL15331207 0.72 ALDH1A1 (0.36) KDM4EALDH1A1NPC1RAB9A
SCHEMBL8327153 0.70 GRIA1 (0.37) KDM4EALDH1A1
SCHEMBL2041714 0.70 PTK2 (0.34) NOTUMPARP1
SCHEMBL474098 0.68 BTK (0.41) KDM4EALDH1A1NPC1RAB9APARP1
SCHEMBL15330349 0.68 MMP2 (0.49) KDM4EALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927738-B2 2-arylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2015-01-06 US disclosed
US-8927738-B2 2-arylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2015-01-06 US disclosed
EP-2513105-B1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS LUNDBECK & CO AS H (DK) 2014-05-14 EP disclosed
EP-2513105-B1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS LUNDBECK & CO AS H (DK) 2014-05-14 EP disclosed
US-20130289038-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2013-10-31 US disclosed
US-20130289038-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2013-10-31 US disclosed
US-8501797-B2 (2-aryl-1H-imidazol-4-yl)-linked heterocycle derivatives H. LUNDBECK A/S (DK) 2013-08-06 US disclosed
US-8501797-B2 (2-aryl-1H-imidazol-4-yl)-linked heterocycle derivatives H. LUNDBECK A/S (DK) 2013-08-06 US disclosed
US-8501797-B2 (2-aryl-1H-imidazol-4-yl)-linked heterocycle derivatives H. LUNDBECK A/S (DK) 2013-08-06 US disclosed
US-20120302548-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2012-11-29 US disclosed
US-20120302548-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2012-11-29 US disclosed
US-20120302548-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2012-11-29 US disclosed
EP-2513105-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. Lundbeck A/S (DK) 2012-10-24 EP disclosed
WO-2011072696-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2011-06-23 WO disclosed
WO-2011072696-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2011-06-23 WO 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 (2 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-20130289038-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE12, PDE3B, PDE5A NOTUM 1377/4885KDM4E 424/4885ALDH1A1 54/4885
US-20120302548-A1 2-ARYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE12, PDE3B, PDE5A NOTUM 1377/4885KDM4E 424/4885ALDH1A1 54/4885

“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.