SCHEMBL2053430

SCHEMBL2053430

Cc1ncc(C)n2nc(/C=C/c3nc(Br)cn3C)nc12

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.62

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
SCHEMBL2053431 1.00 PDE10A (0.62) PDE10A
SCHEMBL16760044 0.82 PDE10A (0.64) PDE10A
SCHEMBL16760045 0.82 PDE10A (0.64) PDE10A
SCHEMBL10309424 0.82 PDE10A (0.66) PDE10A
SCHEMBL16760241 0.82 PDE10A (0.65) PDE10A
SCHEMBL16769574 0.82 PDE10A (0.48) PDE10A
SCHEMBL16760000 0.82 PDE10A (0.65) PDE10A
SCHEMBL16760169 0.82 PDE10A (0.48) PDE10A
SCHEMBL15548901 0.81 PDE10A (0.66) PDE10A
SCHEMBL15548903 0.81 PDE10A (0.66) PDE10A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3074387-B1 IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-11-08 EP disclosed
EP-3074387-B1 IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-11-08 EP disclosed
US-9669029-B2 Heteroaromatic phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2017-06-06 US disclosed
US-9669029-B2 Heteroaromatic phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2017-06-06 US disclosed
US-9669029-B2 Heteroaromatic phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2017-06-06 US disclosed
US-9586970-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2017-03-07 US disclosed
US-9586970-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2017-03-07 US disclosed
US-9586970-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2017-03-07 US disclosed
EP-3074387-A1 IMIDAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2016-10-05 EP disclosed
US-20160264585-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-09-15 US disclosed
WO-2015078836-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-06-04 WO disclosed
WO-2015078836-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-06-04 WO disclosed
EP-2513107-B1 HETEROAROMATIC PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS LUNDBECK & CO AS H (DK) 2014-07-30 EP disclosed
EP-2513107-B1 HETEROAROMATIC PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS LUNDBECK & CO AS H (DK) 2014-07-30 EP disclosed
US-20120309714-A1 Heteroaromatic Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2012-12-06 US disclosed
US-20120309714-A1 Heteroaromatic Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2012-12-06 US disclosed
US-20120309714-A1 Heteroaromatic Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2012-12-06 US disclosed
EP-2513107-A1 HETEROAROMATIC PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. Lundbeck A/S (DK) 2012-10-24 EP disclosed
WO-2011072694-A1 HETEROAROMATIC PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2011-06-23 WO disclosed
WO-2011072694-A1 HETEROAROMATIC PHENYLIMIDAZOLE 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-20120309714-A1 Heteroaromatic Phenylimidazole derivatives as PDE10A enzyme inhibitors PDE10A, PDE3B, PDE4A PDE10A 1/4885
US-20160264585-A1 IMIDAZOLE DERIVATIVES GRIN2B, MAOB, GRIN2A PDE10A 1659/4885

“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.