Sugi Predict

Sugi Predict / Compounds / SCHEMBL9880653

SCHEMBL9880653

SCHEMBL9880653

CCc1cn2c(C)cc(C)nc2n1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 17/20 0.62
▸ RCE1 Q9Y256 2/20 0.62
▸ ALDH1A1 P00352 13/20 0.57
▸ HPGD P15428 7/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ HSD17B10 Q99714 5/20 0.57
▸ KLK7 P49862 1/20 0.56
▸ MAPT P10636 3/20 0.55
▸ PDE10A Q9Y233 2/20 0.55
▸ NPC1 O15118 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ TDP1 Q9NUW8 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
SCHEMBL5814589 0.84 KDM4E (0.60) KDM4ERCE1ALDH1A1HPGDRAB9A
SCHEMBL5814590 0.84 KDM4E (0.60) KDM4ERCE1ALDH1A1HPGDRAB9A
SCHEMBL258816 0.84 KDM4E (0.60) KDM4ERCE1ALDH1A1HPGDRAB9A
Hydrochloric Acid SCHEMBL259782 0.82 KDM4E (0.59) KDM4ERCE1ALDH1A1HPGDRAB9A
SCHEMBL28686312 0.76 KDM4E (0.52) KDM4ERCE1ALDH1A1HPGDRAB9A
SCHEMBL22639842 0.74 KDM4E (0.56) KDM4ERCE1ALDH1A1HPGDRAB9A
SCHEMBL260882 0.74 KDM4E (0.60) KDM4ERCE1ALDH1A1HPGDRAB9A
SCHEMBL16672166 0.74 KDM4E (0.60) KDM4ERCE1ALDH1A1HPGDRAB9A
Hydrochloric Acid SCHEMBL259236 0.73 KDM4E (0.59) KDM4ERCE1ALDH1A1HPGDRAB9A
SCHEMBL15058453 0.72 PDE10A (1.00) KDM4ERCE1ALDH1A1HPGDRAB9A

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20150190395-A1 Novel Phenylimidazole Derivatives as PDE10A Enzyme Inhibitors PDE10A, PDE5A, PDE3B KDM4E 356/4885RCE1 1454/4885ALDH1A1 65/4885
US-20120135987-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B KDM4E 356/4885RCE1 1454/4885ALDH1A1 65/4885
US-20150025081-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B KDM4E 356/4885RCE1 1454/4885ALDH1A1 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.