SCHEMBL9949248

SCHEMBL9949248

O=c1[nH]c(=O)c2ncn(Br)c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.41
ALDH1A1 P00352 4/20 0.37
GDA Q9Y2T3 2/20 0.37
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.33
BLM P54132 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP1A2 P05177 1/20 0.33
PABPC1 P11940 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
CASP7 P55210 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACHE P22303 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL2352519 0.80 PNP (0.43) PNPALDH1A1GDAMEN1KMT2A
SCHEMBL28648090 0.77 PNP (0.44) PNPALDH1A1GDAMEN1KMT2A
SCHEMBL13007561 0.77 PNP (0.41) PNPALDH1A1GDAMEN1KMT2A
SCHEMBL2837687 0.77 PNP (0.41) PNPALDH1A1GDAMEN1KMT2A
SCHEMBL4560085 0.77 GDA (0.53) PNPALDH1A1GDAMEN1KMT2A
SCHEMBL8356642 0.77 PNP (0.41) PNPALDH1A1GDAMEN1KMT2A
SCHEMBL618978 0.77 PNP (0.44) PNPALDH1A1GDAMEN1KMT2A
SCHEMBL133948 0.77 PNP (0.41) PNPALDH1A1GDAMEN1KMT2A
SCHEMBL10998 0.77 GDA (0.53) PNPALDH1A1GDAMEN1KMT2A
Hydrochloric Acid SCHEMBL7296125 0.76 PNP (0.40) PNPALDH1A1GDAMEN1KMT2A

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
CN-105936634-B A kind of synthetic method of Li Gelieting 赤峰赛林泰药业有限公司 2018-05-25 CN claimed
CN-105073749-A Improved process for the preparation of linagliptin MYLAN LAB LTD 2015-11-18 CN claimed
EP-2935266-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LINAGLIPTIN Mylan Laboratories Ltd. (IN) 2015-10-28 EP claimed
US-20150299200-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LINAGLIPTIN MYLAN LABORATORIES LTD (IN) 2015-10-22 US claimed
WO-2014097314-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LINAGLIPTIN MYLAN LABORATORIES LTD (IN) 2014-06-26 WO claimed
CN-105936634-B A kind of synthetic method of Li Gelieting 赤峰赛林泰药业有限公司 2018-05-25 CN disclosed
CN-105936634-B A kind of synthetic method of Li Gelieting 赤峰赛林泰药业有限公司 2018-05-25 CN disclosed
US-20160304520-A1 An improved process for preparing Linagliptin and its key Intermediates WOCKHARDT LTD (IN) 2016-10-20 US disclosed
CN-105936634-A Synthetic method of linagliptin 赤峰赛林泰药业有限公司 2016-09-14 CN disclosed
CN-105073749-A Improved process for the preparation of linagliptin MYLAN LAB LTD 2015-11-18 CN disclosed
EP-2935266-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LINAGLIPTIN Mylan Laboratories Ltd. (IN) 2015-10-28 EP disclosed
US-20150299200-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LINAGLIPTIN MYLAN LABORATORIES LTD (IN) 2015-10-22 US disclosed
WO-2015011609-A1 PROCESS FOR THE PREPARATION OF LINAGLIPTIN AND AN INTERMEDIATE THEREOF RANBAXY LABORATORIES LIMITED (IN) 2015-01-29 WO disclosed
WO-2015004599-A1 AN IMPROVED PROCESS FOR PREPARING LINAGLIPTIN AND ITS KEY INTERMEDIATES WOCKHARDT LIMITED (IN) 2015-01-15 WO disclosed
WO-2014097314-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LINAGLIPTIN MYLAN LABORATORIES LTD (IN) 2014-06-26 WO disclosed
US-20120165525-A1 PROCESS FOR THE PREPARATION OF LINAGLIPTIN DIPHARMA FRANCIS S.R.L. (IT) 2012-06-28 US disclosed
EP-2468749-A1 Process for the preparation of Linagliptin Dipharma Francis S.r.l. (IT) 2012-06-27 EP 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 (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-20120165525-A1 PROCESS FOR THE PREPARATION OF LINAGLIPTIN DPP4, DPP8, DPP7 PNP 21/4885ALDH1A1 538/4885GDA 653/4885
US-20160304520-A1 An improved process for preparing Linagliptin and its key Intermediates DPP4, LCT, DPP3 PNP 166/4885ALDH1A1 545/4885GDA 1939/4885
US-20150299200-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LINAGLIPTIN DPP4, DPP3, DPP8 PNP 83/4885ALDH1A1 1528/4885GDA 907/4885

“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.