SCHEMBL113108

SCHEMBL113108

CC(C)(C)OC(=O)N1CCCN(c2ccc([N+](=O)[O-])c(N)n2)CC1.CN(C)C1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.47
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
CKS1B P61024 2/20 0.44
SKP1 P63208 2/20 0.44
SKP2 Q13309 2/20 0.44
GPR119 Q8TDV5 6/20 0.43
PDE10A Q9Y233 1/20 0.41
CDK2 P24941 1/20 0.39
KCNH2 Q12809 1/20 0.38
MET P08581 1/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
JAK3 P52333 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
BTK Q06187 1/20 0.37

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
SCHEMBL2142014 0.91 MAP4K4 (0.55) MAP4K4ALDH1A1MAPTLMNACKS1B
SCHEMBL110185 0.87 MAP4K4 (0.59) MAP4K4ALDH1A1MAPTLMNACKS1B
SCHEMBL29546457 0.87 MAP4K4 (0.59) MAP4K4ALDH1A1MAPTLMNACKS1B
SCHEMBL112013 0.82 JAK3 (0.48) MAP4K4ALDH1A1MAPTMAPK1POLB
SCHEMBL25409150 0.78 PDE10A (0.49) MAP4K4PDE10AJAK3
SCHEMBL25410570 0.78 PDE10A (0.49) MAP4K4PDE10AJAK3
SCHEMBL13075584 0.78 MAP4K4 (0.60) MAP4K4ALDH1A1MAPTLMNACKS1B
SCHEMBL25411004 0.77 ALDH1A1 (0.44) MAP4K4ALDH1A1MAPTLMNAGPR119
SCHEMBL114257 0.77 MAP4K4 (0.61) MAP4K4ALDH1A1MAPTLMNACKS1B
SCHEMBL23410641 0.77 PDE10A (0.48) MAP4K4ALDH1A1MAPTLMNAGPR119

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 137/4885ALDH1A1 3598/4885MAPT 1535/4885

“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.