SCHEMBL1968804

SCHEMBL1968804

FCc1nnc2n1CCNC2

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.31
LMNA P02545 1/20 0.31
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL14955970 0.84 MGLL (0.34) MGLL
SCHEMBL1509231 0.81 MGLL (0.31) MGLL
Hydrochloric Acid SCHEMBL1509240 0.80 DPP4 (0.31) MGLL
SCHEMBL18359402 0.77 HTR2C (0.34) MGLL
SCHEMBL2752939 0.76 MAPT (0.36)
SCHEMBL24656037 0.71 GSK3B (0.32) MGLLGSK3BDYRK1A
SCHEMBL17611615 0.71 MGLL (0.33) MGLLGSK3BDYRK1A
SCHEMBL929279 0.71 POLB (0.47) MGLLGSK3BDYRK1A
SCHEMBL109874 0.71 MGLL (0.33) MGLLGSK3BDYRK1A
SCHEMBL212149 0.70 MGLL (0.36) MGLLGSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
EP-2647624-B1 INTERMEDIATES OF SITAGLIPTIN AND PREPARATION PROCESS THEREOF ZHEJIANG HISOAR PHARMACEUTICAL CO LTD (CN) 2016-10-12 EP disclosed
US-9409912-B2 Process for the preparation of sitagliptin phosphate CADILA HEALTHCARE LIMITED (IN) 2016-08-09 US disclosed
US-9233967-B2 Process for the preparation of sitagliptin and intermediate compounds CIPLA LIMITED (IN) 2016-01-12 US disclosed
US-20150197523-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND INTERMEDIATE COMPOUNDS CIPLA LIMITED (IN) 2015-07-16 US disclosed
US-20150087834-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN PHOSPHATE CADILA HEALTHCARE LIMITED (IN) 2015-03-26 US disclosed
US-8624026-B2 Method of preparing sitagliptin and intermediates used therein HANMI SCIENCE CO., LTD (KR) 2014-01-07 US disclosed
EP-2647624-A1 INTERMEDIATES OF SITAGLIPTIN AND PREPARATION PROCESS THEREOF Zhejiang Hisoar Pharmaceutical Co., Ltd (CN) 2013-10-09 EP disclosed
WO-2013114173-A1 A NOVEL PROCESS FOR THE PREPARATION OF SITAGLIPTIN SMILAX LABORATORIES LIMITED (IN) 2013-08-08 WO disclosed
US-20120214997-A1 METHOD OF PREPARING SITAGLIPTIN AND INTERMEDIATES USED THEREIN HANMI HOLDINGS CO., LTD. (KR) 2012-08-23 US disclosed
EP-2334689-A2 FUSED HETEROCYCLIC COMPOUND LG Life Sciences Ltd. (KR) 2011-06-22 EP disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 WO disclosed
US-7612072-B2 Amorphous form of a phosphoric acid salt of a dipeptidyl peptidase-IV inhibitor MERCK & CO., INC. (US) 2009-11-03 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 (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-20120214997-A1 METHOD OF PREPARING SITAGLIPTIN AND INTERMEDIATES USED THEREIN DPP4, DPP7, DPP8 MGLL 938/4885LMNA 3306/4885GSK3B 316/4885
US-20150087834-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN PHOSPHATE DPP4, DPP9, SI MGLL 1358/4885LMNA 4267/4885GSK3B 197/4885
US-20150197523-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND INTERMEDIATE COMPOUNDS DPP4, DPP7, DPP9 MGLL 4063/4885LMNA 2767/4885GSK3B 533/4885

“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.