SCHEMBL110934

SCHEMBL110934

CC(C)(C)OC(=O)N1CCCN(c2ccc3nc(C(=O)c4ccnc(-c5cncc6ccccc56)c4)[nH]c3n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.53
CCNA2 P20248 3/20 0.53
CCND1 P24385 3/20 0.53
CDK2 P24941 3/20 0.53
CCND3 P30281 3/20 0.53
CCNA1 P78396 3/20 0.53
CDK6 Q00534 3/20 0.53
CDK1 P06493 2/20 0.51
CCNB1 P14635 2/20 0.51
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
PDE10A Q9Y233 2/20 0.42
CYP11B2 P19099 1/20 0.40
GBA1 P04062 1/20 0.39
MAP4K4 O95819 1/20 0.39
TBK1 Q9UHD2 3/20 0.39
ACHE P22303 2/20 0.39
KIT P10721 2/20 0.38
ALK Q9UM73 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
SCHEMBL160571 0.97 CDK4 (0.55) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL174088 0.89 CDK4 (0.53) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL15602945 0.88 CDK4 (0.54) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL10268485 0.84 CDK4 (0.45) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL110190 0.83 CDK4 (0.57) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL112680 0.83 CDK4 (0.57) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL2142259 0.83 CDK4 (0.59) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL113218 0.82 MAP4K4 (0.45) CKS1BSKP1SKP2PDE10AMAP4K4
SCHEMBL2142511 0.82 CDK4 (0.60) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL114117 0.81 CDK4 (0.78) CDK4CCNA2CCND1CDK2CCND3

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 CDK4 13/4885CCNA2 24/4885CCND1 30/4885

“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.