SCHEMBL259848

SCHEMBL259848

c1nc2nc(N3CCOCC3)ccn2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 3/20 0.54
PIK3CA P42336 2/20 0.49
MAP4K4 O95819 1/20 0.49
LMNA P02545 1/20 0.43
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
CYP2C19 P33261 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SUV39H2 Q9H5I1 1/20 0.37
PIK3CD O00329 1/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL29768096 0.78 SMPD3 (0.56) SMPD3PIK3CAMAP4K4LMNAHTT
SCHEMBL30413537 0.72 TLR9 (0.45) SMPD3ALDH1A1KDM4E
SCHEMBL31259872 0.70 SMPD3 (1.00) SMPD3CYP1A2MAPTPIK3CD
SCHEMBL6843345 0.68 GAA (0.59) SMPD3PIK3CALMNAHTTSMN1; SMN2
SCHEMBL18208409 0.67 SMPD3 (0.65) SMPD3PIK3CA
SCHEMBL31259878 0.67 SMPD3 (1.00) SMPD3PIK3CD
SCHEMBL21711099 0.67 PIK3CA (0.50) SMPD3PIK3CAHTTSMN1; SMN2KMT2A
SCHEMBL30649316 0.67 HTT (0.46) PIK3CAMAP4K4HTTSMN1; SMN2KMT2A
SCHEMBL23518736 0.66 SMPD3 (0.64) SMPD3SMN1; SMN2GAAALDH1A1HPGD
SCHEMBL12403043 0.66 RAD51 (0.52) PIK3CAHTTSMN1; SMN2KMT2AGAA

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-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
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 SMPD3 73/4885PIK3CA 811/4885MAP4K4 2479/4885
US-20150190395-A1 Novel Phenylimidazole Derivatives as PDE10A Enzyme Inhibitors PDE10A, PDE5A, PDE3B SMPD3 73/4885PIK3CA 811/4885MAP4K4 2479/4885
US-20120135987-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B SMPD3 73/4885PIK3CA 811/4885MAP4K4 2479/4885
US-20150025081-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B SMPD3 73/4885PIK3CA 811/4885MAP4K4 2479/4885

“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.