SCHEMBL114257

SCHEMBL114257

CC(C)(C)OC(=O)N1CCCN(c2ccc(N)c(N)n2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.61
CKS1B P61024 2/20 0.56
SKP1 P63208 2/20 0.56
SKP2 Q13309 2/20 0.56
PDE10A Q9Y233 1/20 0.49
SMARCA2 P51531 1/20 0.49
SMARCA4 P51532 1/20 0.49
PBRM1 Q86U86 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
PTPN11 Q06124 1/20 0.46
ADK P55263 1/20 0.44
GPR119 Q8TDV5 5/20 0.43
GALR2 O43603 1/20 0.43
GALR1 P47211 1/20 0.43
ATR Q13535 1/20 0.43
SUV39H2 Q9H5I1 1/20 0.42

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
SCHEMBL111508 0.95 MAP4K4 (0.66) MAP4K4CKS1BSKP1SKP2SMARCA2
SCHEMBL29545935 0.95 MAP4K4 (0.66) MAP4K4CKS1BSKP1SKP2SMARCA2
SCHEMBL13076179 0.86 MAP4K4 (0.57) MAP4K4CKS1BSKP1SKP2PDE10A
SCHEMBL2142014 0.85 MAP4K4 (0.55) MAP4K4CKS1BSKP1SKP2PDE10A
SCHEMBL31130022 0.84 MAP4K4 (0.65) MAP4K4CKS1BSKP1SKP2SMARCA2
SCHEMBL2345673 0.84 MAP4K4 (0.61) MAP4K4CKS1BSKP1SKP2SMARCA2
SCHEMBL23104148 0.83 CKS1B (0.59) MAP4K4CKS1BSKP1SKP2PDE10A
SCHEMBL15173541 0.83 MAP4K4 (0.64) MAP4K4CKS1BSKP1SKP2SMARCA2
SCHEMBL31257454 0.82 MAP4K4 (0.59) MAP4K4CKS1BSKP1SKP2SMARCA2
SCHEMBL2068165 0.82 MAP4K4 (0.59) MAP4K4CKS1BSKP1SKP2PDE10A

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 8 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
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 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
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 137/4885CKS1B 21/4885SKP1 176/4885

“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.