Sugi Predict

Sugi Predict / Compounds / SCHEMBL259260

SCHEMBL259260

SCHEMBL259260

Cc1cn2ncnc2nc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ CYP2C19 P33261 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ CHRM5 P08912 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ PKM P14618 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ENPP1 P22413 4/20 0.33
▸ PAX2 Q02962 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ GALR3 O60755 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31

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
SCHEMBL25276442 0.80 GAA (0.39) ALDH1A1KDM4EMAPK1CYP2C19GAA
SCHEMBL25722829 0.77 GAA (0.37) ALDH1A1KDM4EMAPK1CYP2C19GAA
SCHEMBL25729719 0.74 GAA (0.35) ALDH1A1KDM4EMAPK1CYP2C19GAA
SCHEMBL23510052 0.74 GAA (0.35) ALDH1A1KDM4EMAPK1CYP2C19GAA
SCHEMBL33564 0.73 MAPK1 (0.44) ALDH1A1KDM4EMAPK1CYP2C19GAA
SCHEMBL25281603 0.70 CHRM5 (0.50) CYP2C19GAACHRM5
SCHEMBL3646931 0.70 GAA (0.39) ALDH1A1KDM4EMAPK1CYP2C19GAA
SCHEMBL17039029 0.70 ALDH1A1 (0.39) ALDH1A1KDM4EMAPK1CYP2C19GAA
SCHEMBL3679921 0.69 DGAT1 (0.39) ALDH1A1KDM4EMAPK1CYP2C19GAA
SCHEMBL9297200 0.68 PDE10A (0.42) ALDH1A1KDM4EMAPK1CYP2C19GAA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814734-B2 1,2,4-triazolo[1,5-a] pyrimidine derivative as copper corrosion inhibitor ECOLAB USA INC. (US) 2023-11-14 — — US disclosed
US-11814734-B2 1,2,4-triazolo[1,5-a] pyrimidine derivative as copper corrosion inhibitor ECOLAB USA INC. (US) 2023-11-14 — — US disclosed
WO-2021257614-A1 HETEROCYCLIC INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-12-23 — — WO disclosed
WO-2020231723-A1 1,2,4-TRIAZOLO[1,5-A] PYRIMIDINE DERIVATIVE AS COPPER CORROSION INHIBITOR ECOLAB USA INC. (US) 2020-11-19 — — WO disclosed
US-20200362467-A1 1,2,4-TRIAZOLO[1,5-a] PYRIMIDINE DERIVATIVE AS COPPER CORROSION INHIBITOR ECOLAB USA INC. (US) 2020-11-19 — — US disclosed
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
US-8691825-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2014-04-08 — — US disclosed
US-8247431-B2 Heterocyclic hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 — — US disclosed
US-20120135987-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2012-05-31 — — US disclosed
US-20120077810-A1 Inhibitors Of AKT Activity MERCK SHARP & DOHME LLC 2012-03-29 — — US disclosed
US-8133897-B2 Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2012-03-13 — — US disclosed
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 — — 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 (8 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 ALDH1A1 65/4885KDM4E 356/4885MAPK1 2793/4885
US-20200362467-A1 1,2,4-TRIAZOLO[1,5-a] PYRIMIDINE DERIVATIVE AS COPPER CORROSION INHIBITOR AOC1, TFPI, SOD1 ALDH1A1 50/4885KDM4E 2496/4885MAPK1 590/4885
US-20150190395-A1 Novel Phenylimidazole Derivatives as PDE10A Enzyme Inhibitors PDE10A, PDE5A, PDE3B ALDH1A1 65/4885KDM4E 356/4885MAPK1 2793/4885
US-20120135987-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B ALDH1A1 65/4885KDM4E 356/4885MAPK1 2793/4885
US-20120077810-A1 Inhibitors Of AKT Activity PIK3CA, PIK3CD, PIK3CB ALDH1A1 3392/4885KDM4E 1502/4885MAPK1 277/4885
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, CAT, DNPH1 ALDH1A1 719/4885KDM4E 2297/4885MAPK1 2414/4885
US-20150025081-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B ALDH1A1 65/4885KDM4E 356/4885MAPK1 2793/4885
US-11814734-B2 1,2,4-triazolo[1,5-a] pyrimidine derivative as copper corrosion inhibitor AOC1, TFPI, SOD1 ALDH1A1 50/4885KDM4E 2496/4885MAPK1 590/4885

“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.