SCHEMBL10065403

SCHEMBL10065403

CNC(=O)NCc1ccccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.49
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
NAMPT P43490 1/20 0.45
EPHX2 P34913 1/20 0.44
MTNR1A P48039 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GALR3 O60755 1/20 0.43
POLB P06746 1/20 0.41
TSHR P16473 3/20 0.41
GAA P10253 2/20 0.40
NOX4 Q9NPH5 1/20 0.40
DPP4 P27487 1/20 0.40
KDM4E B2RXH2 1/20 0.40
BRD4 O60885 1/20 0.39

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
SCHEMBL26728285 0.83 P2RX7 (0.51) P2RX7RAB9ANAMPTEPHX2MTNR1A
SCHEMBL6925202 0.81 P2RX7 (0.49) P2RX7RAB9ANAMPTEPHX2ALDH1A1
SCHEMBL31036963 0.81 P2RX7 (0.55) P2RX7RAB9ANPC1NAMPTEPHX2
SCHEMBL23805008 0.80 P2RX7 (0.48) P2RX7RAB9ANPC1NAMPTEPHX2
SCHEMBL12500261 0.79 CYP19A1 (0.47) P2RX7RAB9AALDH1A1GALR3TSHR
SCHEMBL8526169 0.78 PPID (0.61) P2RX7RAB9ANPC1ALDH1A1POLB
SCHEMBL10630135 0.77 GAA (0.53) P2RX7ALDH1A1TSHRGAA
SCHEMBL9848421 0.77 HPGD (0.59) P2RX7RAB9ANPC1ALDH1A1GAA
SCHEMBL9848458 0.77 SOAT1 (0.49)
SCHEMBL17787939 0.76 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1POLBGAA

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
CN-113307777-B Alogliptin benzoate intermediate and preparation method of Alogliptin benzoate 石药集团欧意药业有限公司 2023-01-17 CN disclosed
CN-113307777-A Alogliptin benzoate intermediate and preparation method of Alogliptin benzoate 石药集团欧意药业有限公司 2021-08-27 CN disclosed
CN-110128401-B Simple preparation method of alogliptin benzoate 新发药业有限公司 2020-04-28 CN disclosed
CN-110128401-A A kind of simple and convenient process for preparing of alogliptin benzoate 新发药业有限公司 2019-08-16 CN disclosed
CN-105085475-B A method of synthesis Egelieting intermediate 上海科胜药物研发有限公司 2019-05-21 CN disclosed
EP-3118192-A1 PROCESS FOR PRODUCING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-01-18 EP disclosed
EP-2410855-B1 PROCESS FOR THE PREPARATION OF ALOGLIPTIN MAPI PHARMA LTD (IL) 2016-06-01 EP disclosed
CN-104086527-A Synthetic method of alogliptin benzoate HUNAN OUYA BIOLOG CO LTD 2014-10-08 CN disclosed
US-8841447-B2 Process for the preparation of alogliptin MAPI PHARMA LTD. (IL) 2014-09-23 US disclosed
US-20120029000-A1 PROCESS FOR THE PREPARATION OF ALOGLIPTIN MAPI PHARMA LIMITED (IL) 2012-02-02 US disclosed
WO-2010109468-A1 PROCESS FOR THE PREPARATION OF ALOGLIPTIN MAPI PHARMA HK LIMITED (CN) 2010-09-30 WO 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 (1 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-20120029000-A1 PROCESS FOR THE PREPARATION OF ALOGLIPTIN DPP7, DPP4, DPP8 P2RX7 661/4885RAB9A 3644/4885NPC1 3547/4885

“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.