SCHEMBL260197

SCHEMBL260197

Cc1cccn2cc(CSc3nc(-c4ccccc4)cn3C)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 16/20 1.00
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
TP53 P04637 1/20 0.59
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MAPT P10636 2/20 0.58
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL15419144 0.87 PDE10A (0.77) PDE10ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL259863 0.84 PDE10A (1.00) PDE10A
SCHEMBL259118 0.82 PDE10A (1.00) PDE10ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL259357 0.81 PDE10A (0.68) PDE10ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL260106 0.80 PDE10A (1.00) PDE10ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL15361824 0.76 PDE10A (0.66) PDE10ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4837433 0.76 ALDH1A1 (1.00) PDE10ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2035497 0.76 PDE10A (0.61) PDE10ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL259373 0.74 PDE10A (1.00) PDE10ANPC1RAB9ASMN1; SMN2
SCHEMBL259662 0.74 PDE10A (1.00) PDE10ANPC1RAB9ASMN1; SMN2ALDH1A1

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 18 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
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
JP-2011524381-A 2011-09-01 JP claimed
EP-2318394-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. Lundbeck A/S (DK) 2011-05-11 EP claimed
US-20100016303-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2010-01-21 US claimed
WO-2009152825-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2009-12-23 WO 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
EP-2318394-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. Lundbeck A/S (DK) 2011-05-11 EP disclosed
US-20100016303-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2010-01-21 US disclosed
WO-2009152825-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2009-12-23 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 (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.