SCHEMBL3211686

SCHEMBL3211686

CC(C)(C)OC(=O)NC1CCN(c2ccccc2N)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.60
PIM3 Q86V86 1/20 0.60
PIM2 Q9P1W9 1/20 0.60
CKS1B P61024 1/20 0.50
SKP1 P63208 1/20 0.50
SKP2 Q13309 1/20 0.50
CTSK P43235 2/20 0.49
PDE10A Q9Y233 1/20 0.48
BTK Q06187 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
GAA P10253 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
MAP4K4 O95819 2/20 0.48
DRD2 P14416 3/20 0.46
KCNA3 P22001 1/20 0.46
DRD3 P35462 1/20 0.45

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
SCHEMBL3211670 1.00 PIM1 (0.60) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL14206408 1.00 PIM1 (0.60) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL1271996 0.94 CKS1B (0.55) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL4553425 0.93 MAP4K4 (0.56) PIM1PIM3PIM2CTSKPDE10A
SCHEMBL13156657 0.93 MAP4K4 (0.56) PIM1PIM3PIM2CTSKPDE10A
SCHEMBL13156648 0.93 MAP4K4 (0.56) PIM1PIM3PIM2CTSKPDE10A
SCHEMBL14206788 0.89 CKS1B (0.52) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL9984095 0.85 PIM1 (0.48) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL17384450 0.85 PIM1 (0.59) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL12283936 0.85 PIM1 (0.67) PIM1PIM3PIM2CKS1BSKP1

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 6 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
EP-2078002-B1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME (US) 2013-08-28 EP 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

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 PIM1 1445/4885PIM3 1645/4885PIM2 906/4885
US-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MAPK15, CDK15, MAPKAPK5 PIM1 2719/4885PIM3 2561/4885PIM2 2442/4885

“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.