Sugi Predict

Sugi Predict / Compounds / SCHEMBL260198

SCHEMBL260198

SCHEMBL260198

Cc1cccn2cc(C(C)Sc3nc(-c4ccccc4)c[nH]3)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.54
▸ NPC1 O15118 11/20 0.54
▸ ALDH1A1 P00352 9/20 0.54
▸ KDM4E B2RXH2 9/20 0.54
▸ SMN1; SMN2 Q16637 7/20 0.54
▸ TP53 P04637 3/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ PDE10A Q9Y233 2/20 0.46
▸ NFKB1 P19838 3/20 0.44
▸ NFKB2 Q00653 3/20 0.44
▸ RELA Q04206 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 5/20 0.43
▸ PKM P14618 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ POLB P06746 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.39

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
SCHEMBL15419145 0.86 ALDH1A1 (0.38) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL259864 0.84 PDE10A (0.48) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL259119 0.83 PDE10A (0.43) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL259356 0.81 RAB9A (0.55) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL260108 0.80 ALDH1A1 (0.52) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL259357 0.78 PDE10A (0.68) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL259663 0.74 PDE10A (0.45) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL259374 0.74 PDE10A (0.51) NPC1ALDH1A1KDM4EPDE10AMAPT
SCHEMBL259302 0.72 PDE10A (0.47) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4837433 0.72 ALDH1A1 (1.00) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2

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 19 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
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 RAB9A 722/4885NPC1 1261/4885ALDH1A1 65/4885
US-20150190395-A1 Novel Phenylimidazole Derivatives as PDE10A Enzyme Inhibitors PDE10A, PDE5A, PDE3B RAB9A 722/4885NPC1 1261/4885ALDH1A1 65/4885
US-20120135987-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B RAB9A 722/4885NPC1 1261/4885ALDH1A1 65/4885
US-20150025081-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B RAB9A 722/4885NPC1 1261/4885ALDH1A1 65/4885

“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.