SCHEMBL3216221

SCHEMBL3216221

CC(C)(C)OC(=O)NC1CCN(c2ncccc2N)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.53
SKP1 P63208 1/20 0.53
SKP2 Q13309 1/20 0.53
PDE10A Q9Y233 3/20 0.49
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
OGFRL1 Q5TC84 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
MALT1 Q9UDY8 2/20 0.45
KCNA3 P22001 1/20 0.44
MAP4K4 O95819 2/20 0.44
PARP1 P09874 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4436052 0.87 PDE10A (0.58) CKS1BSKP1SKP2PDE10AMAP4K4
SCHEMBL27643780 0.86 TRPV1 (0.55) CKS1BSKP1SKP2PDE10AOPRM1
SCHEMBL17531192 0.85 CKS1B (0.54) CKS1BSKP1SKP2PDE10AOPRM1
SCHEMBL13489675 0.84 TRPV1 (0.62) CKS1BSKP1SKP2PDE10AMALT1
SCHEMBL17861385 0.84 PDE10A (0.51) CKS1BSKP1SKP2PDE10AOPRM1
SCHEMBL27643840 0.84 KDM4E (0.57) CKS1BSKP1SKP2PDE10AOPRM1
SCHEMBL14377345 0.83 MALT1 (0.49) CKS1BSKP1SKP2MALT1MEN1
SCHEMBL3961274 0.83 ALDH1A1 (0.57) CKS1BSKP1SKP2PDE10AOPRM1
SCHEMBL1271996 0.82 CKS1B (0.55) CKS1BSKP1SKP2OPRM1OPRD1
SCHEMBL3961201 0.82 CKS1B (0.51) CKS1BSKP1SKP2PDE10AOPRM1

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
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
EP-2078002-B1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME (US) 2013-08-28 EP disclosed
WO-2012175431-A2 PRODUCTION OF FILMS HAVING FLEXIBLE BARRIER COATINGS CONTAINING PHYLLOSILICATES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-27 WO disclosed
WO-2012176123-A1 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2012-12-27 WO 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-8227605-B2 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors SCHERING CORPORATION (US) 2012-07-24 US disclosed
US-20100055090-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-03-04 US 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 (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-20100055090-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MAPK15, CDK15, MAP3K15 CKS1B 126/4885SKP1 71/4885SKP2 4/4885
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.