SCHEMBL110191

SCHEMBL110191

CC(C)(C)OC(=O)NC1CCN(c2ccc(N)c(N)n2)C1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.62
PDE10A Q9Y233 2/20 0.53
BTK Q06187 2/20 0.52
SUV39H2 Q9H5I1 6/20 0.51
AURKA O14965 3/20 0.50
PDPK1 O15530 3/20 0.50
AURKB Q96GD4 3/20 0.50
CKS1B P61024 1/20 0.50
SKP1 P63208 1/20 0.50
SKP2 Q13309 1/20 0.50
JAK3 P52333 1/20 0.48
SYK P43405 1/20 0.47
PARP1 P09874 1/20 0.46
CTSK P43235 2/20 0.46

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
SCHEMBL2142278 1.00 MAP4K4 (0.62) MAP4K4PDE10ABTKSUV39H2AURKA
SCHEMBL2142039 1.00 MAP4K4 (0.62) MAP4K4PDE10ABTKSUV39H2AURKA
SCHEMBL2143634 0.86 MAP4K4 (0.57) MAP4K4PDE10ABTKSUV39H2AURKA
SCHEMBL2126251 0.86 MAP4K4 (0.57) MAP4K4PDE10ABTKSUV39H2AURKA
SCHEMBL2415078 0.83 SMPD3 (0.46) MAP4K4SUV39H2CKS1BSKP1SKP2
SCHEMBL16620599 0.83 MAP4K4 (0.59) MAP4K4PDE10ABTKSUV39H2AURKA
SCHEMBL16620602 0.83 MAP4K4 (0.59) MAP4K4PDE10ABTKSUV39H2AURKA
SCHEMBL594137 0.83 MAP4K4 (0.58) MAP4K4PDE10ABTKSUV39H2AURKA
SCHEMBL529863 0.83 MAP4K4 (0.58) MAP4K4PDE10ABTKSUV39H2AURKA
SCHEMBL596151 0.83 MAP4K4 (0.58) MAP4K4PDE10ABTKSUV39H2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424843-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2014-03-26 EP disclosed
US-8598217-B2 Imidazole derivatives and their use as modulators of cyclin dependent kinases ASTEX THERAPEUTICS LTD. (GB) 2013-12-03 US disclosed
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 US disclosed
EP-2424843-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES Novartis AG (CH) 2012-03-07 EP disclosed
WO-2010125402-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2010-11-04 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-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES CDK3, CCNI, CDK1 MAP4K4 137/4885PDE10A 1459/4885BTK 313/4885

“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.