SCHEMBL114897

SCHEMBL114897

Cc1nn(C(=O)OC(C)(C)C)c(C)c1-c1cc(C(=O)c2nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3[nH]2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
MAP4K4 O95819 1/20 0.42
WNT3A P56704 1/20 0.38
TBK1 Q9UHD2 9/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
PDE10A Q9Y233 1/20 0.35
ACHE P22303 1/20 0.35
NAMPT P43490 1/20 0.35
KIT P10721 1/20 0.35
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 0.35

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
SCHEMBL109900 0.97 CDK4 (0.42) CDK4CCND1MAP4K4WNT3ATBK1
SCHEMBL2142195 0.89 CDK4 (0.58) CDK4CCND1MAP4K4TBK1GPR119
SCHEMBL110796 0.82 MAP4K4 (0.48) MAP4K4WNT3ATBK1CKS1BSKP1
SCHEMBL113218 0.80 MAP4K4 (0.45) MAP4K4WNT3ATBK1CKS1BSKP1
SCHEMBL160571 0.79 CDK4 (0.55) CDK4CCND1MAP4K4CKS1BSKP1
SCHEMBL110934 0.77 CDK4 (0.53) CDK4CCND1MAP4K4TBK1CKS1B
SCHEMBL112120 0.75 CDK4 (0.55) CDK4CCND1
SCHEMBL2143504 0.73 CKS1B (0.47) MAP4K4TBK1CKS1BSKP1SKP2
SCHEMBL113063 0.72 CDK4 (0.42) CDK4CCND1
SCHEMBL15602945 0.70 CDK4 (0.54) CDK4CCND1MAP4K4PDE10AACHE

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 CDK4 13/4885CCND1 30/4885MAP4K4 137/4885

“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.