SCHEMBL2824378

SCHEMBL2824378

CN(C)S(=O)(=O)Nc1ccc(N2CCN(C3CCCC3)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
KMT2A Q03164 2/20 0.45
HRH3 Q9Y5N1 8/20 0.43
MEN1 O00255 1/20 0.42
JAK3 P52333 1/20 0.41
BTK Q06187 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
KDM2B Q8NHM5 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.39
CDK4 P11802 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
SCHEMBL2827890 0.81 HRH3 (0.39) GAAKMT2AHRH3MEN1JAK3
SCHEMBL2829135 0.80 GAA (0.49) GAAKMT2AHRH3MEN1KDM4E
SCHEMBL2829665 0.80 GAA (0.53) GAAKMT2AHRH3MEN1KDM4E
SCHEMBL7485653 0.79 ALOX12 (0.50) GAAKMT2AMEN1KDM4EHSD17B10
SCHEMBL5743555 0.78 GAA (0.54) GAAKMT2AHRH3GPR119KDM2B
SCHEMBL7494810 0.78 ALOX12 (0.47) GAAKMT2AHRH3MEN1KDM4E
Hydrochloric Acid SCHEMBL3972287 0.77 GAA (0.53) GAAKMT2AHRH3GPR119KDM2B
Cyclohexane SCHEMBL2824747 0.75 HRH3 (0.50) HRH3KDM4EMAPT
Cyclopropane SCHEMBL2826295 0.75 HRH3 (0.50) HRH3KDM4EMAPT
Cyclopentane SCHEMBL2825703 0.75 HRH3 (0.50) HRH3KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824829-B1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-05-05 EP claimed
EP-1824829-A1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-08-29 EP claimed
US-20060122187-A1 Pyridine derivatives as H3 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 US claimed
WO-2006058649-A1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 WO claimed
EP-1824829-B1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-05-05 EP disclosed
US-7528135-B2 Pyridine derivatives as H3 antagonists HOFFMANN-LA ROCHE INC. (US) 2009-05-05 US disclosed
EP-1824829-A1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-08-29 EP disclosed
US-20060122187-A1 Pyridine derivatives as H3 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 US disclosed
WO-2006058649-A1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 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-20060122187-A1 Pyridine derivatives as H3 antagonists HRH3, HRH4, HRH2 GAA 2915/4885KMT2A 164/4885HRH3 1/4885

“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.