SCHEMBL259045

SCHEMBL259045

CC(Sc1nc2ccccn2n1)c1nc(-c2ccc(F)cc2)c[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.50
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GRM2 Q14416 1/20 0.32
KDM4E B2RXH2 2/20 0.32
FLT3 P36888 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP19A1 P11511 1/20 0.31
CSNK1D P48730 1/20 0.31
CSNK1E P49674 1/20 0.31
HPGD P15428 1/20 0.30
EGFR P00533 1/20 0.30
RAF1 P04049 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
GSK3B P49841 1/20 0.30
MAPK14 Q16539 1/20 0.30
ALDH1A3 P47895 1/20 0.30

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
SCHEMBL259631 0.90 PDE10A (0.53) PDE10AKDM4EALDH1A1HPGD
SCHEMBL260123 0.83 PDE10A (0.53) PDE10AKDM4EALDH1A1
SCHEMBL259439 0.77 PDE10A (0.52) PDE10ANPC1RAB9AKDM4EALDH1A1
SCHEMBL259674 0.69 PDE10A (0.55) PDE10ANPC1RAB9AKDM4E
SCHEMBL19398564 0.69 MAPK1 (0.38) NPC1RAB9AALDH1A1GSK3BMAPK14
SCHEMBL259906 0.67 PDE10A (0.64) PDE10ANPC1RAB9A
SCHEMBL260621 0.67 PDE10A (0.52) PDE10ANPC1RAB9AKDM4EALDH1A1
SCHEMBL259044 0.67 PDE10A (1.00) PDE10A
SCHEMBL12833114 0.67 ALDH1A1 (0.39) RAB9AKDM4EALDH1A1ADORA2AADORA1
SCHEMBL1504541 0.67 ALDH1A1 (0.39) RAB9AKDM4EALDH1A1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018217-B2 Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2015-04-28 US claimed
US-20150025081-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2015-01-22 US claimed
EP-2318394-B1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS LUNDBECK & CO AS H (DK) 2014-01-22 EP claimed
US-20120135987-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2012-05-31 US claimed
US-20100016303-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2010-01-21 US claimed
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-9018217-B2 Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2015-04-28 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
EP-2318394-B1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS LUNDBECK & CO AS H (DK) 2014-01-22 EP 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 PDE10A 1/4885NPC1 1261/4885RAB9A 722/4885
US-20150190395-A1 Novel Phenylimidazole Derivatives as PDE10A Enzyme Inhibitors PDE10A, PDE5A, PDE3B PDE10A 1/4885NPC1 1261/4885RAB9A 722/4885
US-20120135987-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B PDE10A 1/4885NPC1 1261/4885RAB9A 722/4885
US-20150025081-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B PDE10A 1/4885NPC1 1261/4885RAB9A 722/4885

“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.