SCHEMBL9949244

SCHEMBL9949244

O=c1[nH]c2nc[nH]c2c(=O)n1Br

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.64
ADORA2A P29274 4/20 0.64
PDE4A P27815 3/20 0.58
PDE4B Q07343 3/20 0.58
PDE4C Q08493 3/20 0.58
PDE4D Q08499 3/20 0.58
ADORA3 P0DMS8 7/20 0.55
ACHE P22303 1/20 0.47
GDA Q9Y2T3 1/20 0.47
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
TDP1 Q9NUW8 2/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
PTGS1 P23219 2/20 0.38
HBB P68871 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
Quinazoline SCHEMBL16416421 0.79 EGFR (0.47) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL618977 0.78 ADORA2B (0.64) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL28516221 0.78 ADORA2B (0.64) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL9574927 0.78 ADORA2B (0.64) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL2837684 0.78 ADORA2B (0.64) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL28648091 0.78 ADORA2B (0.64) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL447390 0.78 ADORA2B (0.64) ADORA2BADORA2APDE4APDE4BPDE4C
1-Methylxanthine SCHEMBL10996 0.78 ADORA2B (1.00) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL5510062 0.78 ADORA2B (0.64) ADORA2BADORA2APDE4APDE4BPDE4C
1-Methylxanthine SCHEMBL9682658 0.76 ADORA2B (0.96) ADORA2BADORA2APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20160304520-A1 An improved process for preparing Linagliptin and its key Intermediates WOCKHARDT LTD (IN) 2016-10-20 US 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 ADORA2B 712/4885ADORA2A 785/4885PDE4A 679/4885
US-20160304520-A1 An improved process for preparing Linagliptin and its key Intermediates DPP4, LCT, DPP3 ADORA2B 1797/4885ADORA2A 3013/4885PDE4A 537/4885
US-20150299200-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LINAGLIPTIN DPP4, DPP3, DPP8 ADORA2B 1759/4885ADORA2A 2758/4885PDE4A 400/4885

“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.