SCHEMBL2832352

SCHEMBL2832352

Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)C[C@@H]2C)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.45
PDK1 Q15118 2/20 0.45
PDK3 Q15120 2/20 0.45
PDK4 Q16654 2/20 0.45
EGLN1 Q9GZT9 2/20 0.44
PRKAB2 O43741 4/20 0.43
PRKAG1 P54619 4/20 0.43
PRKAA2 P54646 4/20 0.43
PRKAA1 Q13131 4/20 0.43
PRKAG3 Q9UGI9 4/20 0.43
PRKAG2 Q9UGJ0 4/20 0.43
PRKAB1 Q9Y478 4/20 0.43
CCR6 P51684 2/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 1/20 0.40
HRH2 P25021 1/20 0.40

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
SCHEMBL13512952 0.88 KMT2A (0.42) MEN1PKMKMT2ATSHR
SCHEMBL1429552 0.87 EGLN1 (0.51) PDK2PDK1PDK3PDK4EGLN1
SCHEMBL2834502 0.87 EGLN1 (0.51) PDK2PDK1PDK3PDK4EGLN1
SCHEMBL1945084 0.85 L3MBTL1 (0.44) PDK2PDK1PDK3PDK4EGLN1
SCHEMBL1429692 0.84 ALDH1A1 (0.45) GAAMEN1PKMKMT2AEPHX2
SCHEMBL12965681 0.84 ALDH1A1 (0.45) GAAMEN1PKMKMT2AEPHX2
SCHEMBL13373159 0.84 KMT2A (0.39) L3MBTL1MEN1PKMKMT2ATSHR
SCHEMBL3712600 0.84 PDK2 (0.53) PDK2PDK1PDK3PDK4PRKAB2
SCHEMBL3709524 0.83 PDK2 (0.49) PDK2PDK1PDK3PDK4GAA
SCHEMBL1429626 0.83 PRKAB2 (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536183-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2013-09-17 US disclosed
US-8536183-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2013-09-17 US disclosed
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES BESWICK PAUL JOHN (GB) 2012-11-29 US disclosed
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES BESWICK PAUL JOHN (GB) 2012-11-29 US disclosed
US-8288388-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2012-10-16 US disclosed
US-8288388-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2012-10-16 US disclosed
EP-2300432-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 EP disclosed
US-20100022555-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-28 US disclosed
US-20100022555-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-28 US disclosed
WO-2010007073-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2010-01-21 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-20100022555-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D PDK2 1235/4885PDK1 1720/4885PDK3 2234/4885
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES CACNB2, CACNA1C, KCNJ2 PDK2 670/4885PDK1 1220/4885PDK3 1104/4885

“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.