SCHEMBL6923382

SCHEMBL6923382

[C-]#[N+]C(N)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.52
F2 P00734 1/20 0.52
HTR2A P28223 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 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
SCHEMBL4486245 0.76 DPP4 (0.50) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL3564463 0.71 DPP4 (0.43) DPP4F2HTR2ATAAR1LMNA
SCHEMBL7882222 0.71 DPP4 (0.43) DPP4F2HTR2ATAAR1LMNA
SCHEMBL33698 0.69
SCHEMBL644767 0.69 DPP4 (1.00) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL1878642 0.69 DPP4 (1.00) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL239938 0.69 DPP4 (1.00) DPP4F2HTR2ATAAR1ADRA2A
Aminodiphenylmethane SCHEMBL7841 0.69 DPP4 (0.65) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL851654 0.69 DPP4 (1.00) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL2067094 0.69 DPP4 (1.00) DPP4F2HTR2ATAAR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
US-20110112080-A1 OXAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-12 US disclosed
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 US disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 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-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C DPP4 123/4885F2 1895/4885HTR2A 2313/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A DPP4 45/4885F2 2537/4885HTR2A 2362/4885
US-20110112080-A1 OXAZOLINE DERIVATIVES TAAR1, HCRTR1, NPY1R DPP4 1979/4885F2 3835/4885HTR2A 61/4885

“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.