SCHEMBL1429626

SCHEMBL1429626

Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 4/20 0.54
PRKAG1 P54619 4/20 0.54
PRKAA2 P54646 4/20 0.54
PRKAA1 Q13131 4/20 0.54
PRKAG3 Q9UGI9 4/20 0.54
PRKAG2 Q9UGJ0 4/20 0.54
PRKAB1 Q9Y478 4/20 0.54
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 5/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 3/20 0.51
GAA P10253 2/20 0.50
CCR6 P51684 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
SPR P35270 1/20 0.47

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
SCHEMBL13512953 0.86 LMNA (0.55) KMT2AL3MBTL1MAPTLMNAGAA
SCHEMBL1430546 0.85 LMNA (0.69) KMT2AL3MBTL1LMNATDP1CYP3A4
SCHEMBL2832352 0.83 PDK2 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1430495 0.82 L3MBTL1 (0.57) KMT2AL3MBTL1MAPTLMNAGAA
SCHEMBL2835516 0.80 KMT2A (0.56) KMT2AL3MBTL1MAPTLMNAGAA
SCHEMBL1429882 0.80 KMT2A (0.56) KMT2AL3MBTL1LMNATDP1CYP3A4
SCHEMBL16087362 0.78 L3MBTL1 (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL18711912 0.77 KMT2A (0.58) KMT2AL3MBTL1MAPTLMNAGAA
SCHEMBL1429810 0.76 MEN1 (0.52) KMT2AL3MBTL1MAPTLMNATDP1
SCHEMBL13373156 0.74 TDP1 (0.58) KMT2AL3MBTL1LMNAGAATDP1

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
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES BESWICK PAUL JOHN (GB) 2012-11-29 US claimed
EP-2300432-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 EP claimed
JP-2011528020-A 2011-11-10 JP claimed
EP-2300432-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-03-30 EP claimed
US-20100022555-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-28 US claimed
WO-2010007073-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2010-01-21 WO claimed
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-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
EP-2300432-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-03-30 EP 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 PRKAB2 482/4885PRKAG1 769/4885PRKAA2 635/4885
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES CACNB2, CACNA1C, KCNJ2 PRKAB2 854/4885PRKAG1 1420/4885PRKAA2 1010/4885

“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.