Sugi Predict

Sugi Predict / Compounds / SCHEMBL544628

SCHEMBL544628

SCHEMBL544628

Nc1nc(-c2ccccc2)sc1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.52
▸ ADORA2A P29274 3/20 0.52
▸ ADORA1 P30542 3/20 0.52
▸ ADORA2B P29275 1/20 0.52
▸ ALOX5 P09917 5/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TDO2 P48775 1/20 0.47
▸ CYP3A4 P08684 1/20 0.44

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
SCHEMBL27650821 0.89 ALOX5 (0.54) ADORA3ADORA2AADORA1ADORA2BALOX5
SCHEMBL4060584 0.85 ALOX5 (0.69) ADORA3ADORA2AADORA1ALOX5ALDH1A1
SCHEMBL8823117 0.82 KDM4E (0.47) ADORA3ADORA2AADORA1ADORA2BALDH1A1
Amiphenazole SCHEMBL139210 0.81 ALDH1A1 (0.68) ADORA3ADORA2AADORA1ADORA2BALDH1A1
Amiphenazole SCHEMBL4381796 0.79 ALDH1A1 (0.66) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL8823060 0.78 ADORA2A (0.46) ADORA3ADORA2AADORA1ADORA2BALOX5
SCHEMBL8823056 0.78 KDM4E (0.44) ADORA3ADORA2AADORA1ADORA2BALOX5
SCHEMBL11381340 0.78 ADORA3 (0.50) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL13616800 0.78 ALDH1A1 (0.48) ALOX5ALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL11392444 0.78 ADORA3 (0.56) ADORA3ADORA2AADORA1ADORA2BALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103957908-A Substituted aminothiazoles as inhibitors of cancer including hepatocellular carcinoma and as inhibitors of hepatitis virus replication INST HEPATITIS & VIRUS RES 2014-07-30 — — CN claimed
CN-118344304-A Ibuprofen derivative and preparation method and application thereof 华南农业大学 2024-07-16 — — CN disclosed
CN-117486872-A Mechanical ball milling synthesis method of aminothiazole compound 浙江工业大学 2024-02-02 — — CN disclosed
CN-111378295-B Xanthene dye, coloring composition containing the same, colorant for color filter, and color filter 保土谷化学工业株式会社 2023-11-24 — — CN disclosed
CN-111378295-A Xanthene dye, coloring composition containing the dye, coloring agent for color filter, and color filter 保土谷化学工业株式会社 2020-07-07 — — CN disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 — — US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 — — US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 — — US disclosed
EP-1778718-B1 INHIBITORS OF IAP GENENTECH INC (US) 2014-10-08 — — EP disclosed
EP-1778718-B1 INHIBITORS OF IAP GENENTECH INC (US) 2014-10-08 — — EP disclosed
WO-2008043533-A2 ACYL AMINOIMIDAZOLES AND ACYL AMINOTHIAZOLES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-04-17 — — WO disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 — — US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 — — US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 — — US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 — — US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 — — US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 — — US disclosed
EP-1778718-A1 INHIBITORS OF IAP Genentech, Inc. (US) 2007-05-02 — — EP disclosed
WO-2006014361-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2006-02-09 — — WO disclosed
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2006-01-19 — — 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 (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-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 ADORA3 1767/4885ADORA2A 2821/4885ADORA1 1395/4885
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies BIRC5, BIRC2, XIAP ADORA3 2163/4885ADORA2A 2386/4885ADORA1 1869/4885

“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.