SCHEMBL637147

SCHEMBL637147

Cc1nc(CCl)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.53
ALDH1A1 P00352 5/20 0.53
CYP1A2 P05177 3/20 0.53
HPGD P15428 2/20 0.53
NUDT1 P36639 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KMT2A Q03164 3/20 0.48
MPO P05164 1/20 0.45
RAD52 P43351 1/20 0.45
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40

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
SCHEMBL29693664 1.00 GPR3 (0.53) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL14985883 0.82 GPR3 (0.55) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL15083814 0.81 ALDH1A1 (0.58) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL19988074 0.81 GPR3 (0.53) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL17194216 0.81 GPR3 (0.53) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL16432784 0.81 GPR3 (0.53) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL17904025 0.79 ALDH1A1 (0.56) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL92745 0.78 KMT2A (0.50) ALDH1A1CYP1A2HPGDHSD17B10KMT2A
SCHEMBL28005447 0.78 ALDH1A1 (0.50) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL19267960 0.78 ALDH1A1 (0.50) GPR3ALDH1A1CYP1A2HPGDNUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12122754-B2 Related substance of linagliptin intermediate and synthesis method thereof WISDOM PHARMACEUTICAL CO., LTD (CN) 2024-10-22 US claimed
CN-117088665-A Preparation method of high-performance concrete containing superfine sand 德州润德混凝土有限公司 2023-11-21 CN claimed
CN-117003705-A Novel 1,2, 3-triazole compound with anti-tumor effect, and preparation method and application thereof 北京中医药大学 2023-11-07 CN 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-111574463-B Rivastigmine intermediate compound IV 鲁南制药集团股份有限公司 2023-07-14 CN claimed
US-20230010367-A1 RELATED SUBSTANCE OF LINAGLIPTIN INTERMEDIATE AND SYNTHESIS METHOD THEREOF WISDOM PHARMACEUTICAL CO., LTD (CN) 2023-01-12 US claimed
CN-111574520-B Riagliptin intermediate compound V 鲁南制药集团股份有限公司 2022-08-26 CN claimed
WO-2022134488-A1 RELATED SUBSTANCE OF LINAGLIPTIN INTERMEDIATE AND SYNTHESIS METHOD THEREFOR 江苏慧聚药业有限公司 2022-06-30 WO 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-105503872-B A kind of Li Gelieting impurity and its preparation method and application 北京普德康利医药科技发展有限公司 2017-06-27 CN claimed
US-20160304520-A1 An improved process for preparing Linagliptin and its key Intermediates WOCKHARDT LTD (IN) 2016-10-20 US claimed
CN-105936634-A Synthetic method of linagliptin 赤峰赛林泰药业有限公司 2016-09-14 CN claimed
CN-105622609-A Preparation method for linagliptin SHANGHAI WONDER PHARMACEUTICAL CO LTD 2016-06-01 CN claimed
CN-105503872-A Linagliptin impurity, and preparation method and application thereof BEIJING PUDEKANGLI PHARMACEUTICAL TECH DEV CO LTD 2016-04-20 CN claimed
CN-104844602-A Preparation method of Linagliptin WEIHAI KAIMEIKE MEDICAL TECHNOLOGY DEV CO LTD 2015-08-19 CN claimed
CN-104844603-A Simple preparation method of II-type antidiabetic drug linagliptin UNIV WUHAN TECH 2015-08-19 CN claimed
WO-2015004599-A1 AN IMPROVED PROCESS FOR PREPARING LINAGLIPTIN AND ITS KEY INTERMEDIATES WOCKHARDT LIMITED (IN) 2015-01-15 WO claimed
CN-103664893-A Novel DPP-4 inhibitor, and preparation method and medicinal application thereof UNIV CHINA PHARMA 2014-03-26 CN claimed
EP-2287164-A1 Process for the manufacture of chiral 8-(3-aminopiperidin-1-yl)-xanthines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-23 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20230010367-A1 RELATED SUBSTANCE OF LINAGLIPTIN INTERMEDIATE AND SYNTHESIS METHOD THEREOF DPP4, DPP9, DPP8 GPR3 2618/4885ALDH1A1 28/4885CYP1A2 76/4885
US-20160304520-A1 An improved process for preparing Linagliptin and its key Intermediates DPP4, LCT, DPP3 GPR3 3094/4885ALDH1A1 545/4885CYP1A2 663/4885
US-12122754-B2 Related substance of linagliptin intermediate and synthesis method thereof DPP4, DPP9, DPP8 GPR3 2618/4885ALDH1A1 28/4885CYP1A2 76/4885

“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.