SCHEMBL3961201

SCHEMBL3961201

CC(C)(C)OC(=O)NC1CCN(c2ncncc2N)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.51
SKP1 P63208 1/20 0.51
SKP2 Q13309 1/20 0.51
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
OGFRL1 Q5TC84 1/20 0.46
MAP4K4 O95819 2/20 0.44
PDE10A Q9Y233 1/20 0.43
CTSK P43235 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
JAK3 P52333 1/20 0.41
BTK Q06187 1/20 0.41
PARP1 P09874 1/20 0.40
KCNA3 P22001 1/20 0.40
PAK1 Q13153 2/20 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
SCHEMBL28560789 0.93 PDE10A (0.50) CKS1BSKP1SKP2CNR1CNR2
SCHEMBL1710367 0.87 MAP4K4 (0.57) MAP4K4PDE10ACTSKJAK3BTK
SCHEMBL1710368 0.87 MAP4K4 (0.57) MAP4K4PDE10ACTSKJAK3BTK
SCHEMBL20612718 0.83 MAP4K4 (0.52) CKS1BSKP1SKP2CNR1CNR2
SCHEMBL3216221 0.82 CKS1B (0.53) CKS1BSKP1SKP2CNR1CNR2
SCHEMBL13156552 0.81 CKS1B (0.52) CKS1BSKP1SKP2OPRM1OPRD1
SCHEMBL1003756 0.79 PAK1 (0.64) PAK1
SCHEMBL4960681 0.79 MAP4K4 (0.48) CKS1BSKP1SKP2CNR1CNR2
SCHEMBL28789570 0.79 MAP4K4 (0.47) CKS1BSKP1SKP2MAP4K4PDE10A
SCHEMBL530838 0.79 CKS1B (0.54) CKS1BSKP1SKP2CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078003-B1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2017-03-08 EP disclosed
EP-2078003-B1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2017-03-08 EP disclosed
US-9206142-B2 Anilinopiperazine derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-9206142-B2 Anilinopiperazine derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-9206142-B2 Anilinopiperazine derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2012-12-27 US disclosed
US-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2012-12-27 US disclosed
US-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2012-12-27 US disclosed
EP-2078003-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-07-15 EP disclosed
WO-2008054702-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-05-08 WO disclosed
WO-2008054702-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-05-08 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-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MAPK15, CDK15, MAPKAPK5 CKS1B 603/4885SKP1 134/4885SKP2 136/4885

“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.