Sugi Predict

Sugi Predict / Compounds / SCHEMBL497538

SCHEMBL497538

SCHEMBL497538

CC#CCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.62
▸ MAPK1 P28482 3/20 0.61
▸ MAPT P10636 2/20 0.57
▸ RECQL P46063 1/20 0.55
▸ MDM2 Q00987 1/20 0.55
▸ ALDH1A1 P00352 6/20 0.54
▸ POLB P06746 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HPGD P15428 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ CYP2C9 P11712 1/20 0.48

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
SCHEMBL16391745 0.85 KDM4E (0.64) KDM4EMAPK1MAPTRECQLMDM2
SCHEMBL17124943 0.85 HPGD (0.49) KDM4EMAPK1MAPTALDH1A1POLB
SCHEMBL16392270 0.84 HPGD (0.48) KDM4EMAPK1MAPTALDH1A1POLB
SCHEMBL554961 0.84 HPGD (0.48) KDM4EMAPK1MAPTALDH1A1POLB
SCHEMBL14479261 0.84 ALDH1A1 (0.49) KDM4EMAPK1MAPTALDH1A1POLB
SCHEMBL8439255 0.81 KDM4E (0.70) KDM4EMAPK1MAPTRECQLMDM2
SCHEMBL3545662 0.79 RECQL (0.48) KDM4EMAPK1MAPTRECQLMDM2
SCHEMBL15519474 0.78 DPP4 (0.40) KDM4EMAPK1MAPTRECQLMDM2
SCHEMBL18990660 0.78 KDM4E (0.65) KDM4EMAPK1MAPTRECQLMDM2
SCHEMBL15331425 0.78 MAPK1 (0.76) KDM4EMAPK1MAPTRECQLMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4560315-A2 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES F. Hoffmann-La Roche AG (CH) 2025-05-28 — — EP claimed
EP-3980554-B1 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES HOFFMANN LA ROCHE (CH) 2025-03-26 — — EP claimed
CN-116804013-A Anti-type 2 diabetes compound and application thereof 武汉艾默佳华生物科技有限公司 2023-09-26 — — CN claimed
CN-116675692-A Synthesis method of low-impurity linagliptin 杭州金波医药科技有限公司 2023-09-01 — — CN claimed
US-20220195497-A1 HYBRIDIZING all-LNA OLIGONUCLEOTIDES ROCHE DIAGNOSTICS OPERATIONS, INC. 2022-06-23 — — US claimed
EP-3980554-A1 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES F. Hoffmann-La Roche AG (CH) 2022-04-13 — — EP claimed
CN-109705121-B Preparation method of linagliptin intermediate 深圳市第二人民医院 2022-04-01 — — CN claimed
CN-109761983-B Preparation method of linagliptin 深圳市第二人民医院 2022-03-04 — — CN claimed
CN-113939599-A Hybrid all-LNA oligonucleotides 豪夫迈·罗氏有限公司 2022-01-14 — — CN claimed
CN-112961155-A Preparation method of linagliptin 华北水利水电大学 2021-06-15 — — CN claimed
WO-2020245377-A1 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-12-10 — — WO claimed
US-10023574-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-07-17 — — US claimed
US-20180057495-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2018-03-01 — — US claimed
US-20160304520-A1 An improved process for preparing Linagliptin and its key Intermediates WOCKHARDT LTD (IN) 2016-10-20 — — US claimed
CN-106008508-A Industrial production method of linagliptin 合肥远志医药科技开发有限公司 2016-10-12 — — CN claimed
WO-2015004599-A1 AN IMPROVED PROCESS FOR PREPARING LINAGLIPTIN AND ITS KEY INTERMEDIATES WOCKHARDT LIMITED (IN) 2015-01-15 — — WO claimed
EP-4598926-A1 A PHARMACEUTICAL INTERMEDIATE Zaklady Farmaceutyczne Polpharma S.A. (PL) 2025-08-13 — — EP disclosed
EP-4560315-A2 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES F. Hoffmann-La Roche AG (CH) 2025-05-28 — — EP disclosed
US-20040138215-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 — — US disclosed
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-20 — — 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 (5 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-20160304520-A1 An improved process for preparing Linagliptin and its key Intermediates DPP4, LCT, DPP3 KDM4E 254/4885MAPK1 2916/4885MAPT 1535/4885
US-20180057495-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 KDM4E 829/4885MAPK1 2913/4885MAPT 511/4885
US-20040138215-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 KDM4E 1492/4885MAPK1 1480/4885MAPT 498/4885
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 KDM4E 1974/4885MAPK1 2370/4885MAPT 1029/4885
US-10023574-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 KDM4E 829/4885MAPK1 2913/4885MAPT 511/4885

“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.