SCHEMBL1344707

SCHEMBL1344707

[CH2]CNc1ccc(C#N)cn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.43
DPP7 Q9UHL4 2/20 0.43
DPP4 P27487 8/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
USP30 Q70CQ3 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.40
GSK3B P49841 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
SCHEMBL7367925 0.86 DPP7 (0.47) IDH1DPP7DPP4MEN1KMT2A
SCHEMBL6638863 0.85 DPP4 (0.53) IDH1DPP7DPP4MEN1KMT2A
SCHEMBL3627699 0.83 DPP4 (0.46) IDH1DPP7DPP4MEN1KMT2A
SCHEMBL3060340 0.81 HCAR3 (0.49) IDH1DPP7DPP4MEN1KMT2A
SCHEMBL2638951 0.79 DPP7 (0.47) IDH1DPP7DPP4MEN1KMT2A
SCHEMBL3049238 0.79 HCAR3 (0.51) IDH1DPP7DPP4DPP8KDM4E
SCHEMBL1726095 0.79 DPP7 (0.50) IDH1DPP7DPP4MEN1KMT2A
SCHEMBL1119557 0.79 DPP7 (0.50) IDH1DPP7DPP4MEN1KMT2A
SCHEMBL2638953 0.79 DPP7 (0.47) IDH1DPP7DPP4MEN1KMT2A
Hydrochloric Acid SCHEMBL1119507 0.77 DPP7 (0.49) IDH1DPP7DPP4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063221-B2 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 US claimed
CN-100509833-C Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2009-07-08 CN claimed
EP-2013182-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS Activx Biosciences, Inc. (US) 2009-01-14 EP claimed
US-20070254866-A1 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US claimed
WO-2007106537-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2007-09-20 WO claimed
CN-1630661-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2005-06-22 CN claimed
EP-1523316-A2 COMBINATION COMPRISING AN HMG-COA REDUCTASE INHIBITOR AND AN INSULIN SECRETOR ENHANCER OR AN INSULIN SENSITIZER Novartis AG (CH) 2005-04-20 EP claimed
WO-2004071454-A2 SUBSTITUTED AZETIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARMACEUTICALS INC. (US) 2004-08-26 WO claimed
EP-0937040-B1 N-SUBSTITUTED 2-CYANOPYRROLIDINES NOVARTIS AG (CH) 2004-07-21 EP claimed
US-20040002519-A1 Combination of organic compounds DAMON ROBERT EDSON (US) 2004-01-01 US claimed
WO-2003080070-A2 COMBINATION COMPRISING AN HMG-COA REDUCTASE INHIBITTOR AND AN INSULIN SECRETOR ENHANCER OR AN INSULIN SENSITIZER NOVARTIS AG (CH) 2003-10-02 WO claimed
US-6011155-A N-(substituted glycyl)-2-cyanopyrrolidines, pharmaceutical compositions containing them and their use in inhibiting dipeptidyl peptidase-IV NOVARTIS AG (CH) 2000-01-04 US claimed
CN-1236361-A N-substituted 2-cyanopyrrolidines NOVARTIS AG (CH) 1999-11-24 CN claimed
EP-0937040-A2 N-SUBSTITUTED 2-CYANOPYRROLIDINES Novartis AG (CH) 1999-08-25 EP claimed
WO-1998019998-A2 N-SUBSTITUTED 2-CYANOPYRROLIDINES NOVARTIS AG (CH) 1998-05-14 WO claimed
EP-2013182-B1 AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2013-09-04 EP disclosed
EP-2383271-B1 Aminoquinolones as GSK-3 Inhibitors KYORIN SEIYAKU KK (JP) 2013-07-10 EP disclosed
CN-1236361-A N-substituted 2-cyanopyrrolidines NOVARTIS AG (CH) 1999-11-24 CN disclosed
EP-0937040-A2 N-SUBSTITUTED 2-CYANOPYRROLIDINES Novartis AG (CH) 1999-08-25 EP disclosed
WO-1998019998-A2 N-SUBSTITUTED 2-CYANOPYRROLIDINES NOVARTIS AG (CH) 1998-05-14 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 (2 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-20070254866-A1 Aminoquinolones as GSK-3 inhibitors GSK3B, GSK3A, GSKIP IDH1 887/4885DPP7 1532/4885DPP4 1015/4885
US-20040002519-A1 Combination of organic compounds HMGCR, SRD5A2, HSD17B7 IDH1 181/4885DPP7 446/4885DPP4 323/4885

“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.