SCHEMBL110439

SCHEMBL110439

CN(C)C1CCN(c2ccc3nc(C(=O)c4ccnc(Br)c4)[nH]c3n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.51
CCND1 P24385 6/20 0.51
CCND3 P30281 5/20 0.51
CDK6 Q00534 5/20 0.51
CDK1 P06493 3/20 0.51
CCNB1 P14635 3/20 0.51
CCNA2 P20248 3/20 0.50
CDK2 P24941 3/20 0.50
CCNA1 P78396 3/20 0.50
PARP1 P09874 1/20 0.39
WNT1 P04628 3/20 0.39
GSK3B P49841 3/20 0.39
DYRK1A Q13627 3/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
HRH4 Q9H3N8 3/20 0.38
HRH3 Q9Y5N1 3/20 0.38
MAP4K4 O95819 2/20 0.36
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36

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
SCHEMBL111515 0.84 CDK4 (0.57) CDK4CCND1CCND3CDK6CDK1
SCHEMBL112736 0.83 CDK4 (0.72) CDK4CCND1CCND3CDK6CDK1
SCHEMBL27897985 0.83 ALDH1A1 (0.36) CDK4CCND1CCND3CDK6CDK1
SCHEMBL112592 0.82 CDK4 (0.63) CDK4CCND1CCND3CDK6CDK1
SCHEMBL112177 0.82 CDK4 (0.75) CDK4CCND1CCND3CDK6CDK1
SCHEMBL27880987 0.81 CDK4 (0.52) CDK4CCND1CCND3CDK6CDK1
SCHEMBL114117 0.80 CDK4 (0.78) CDK4CCND1CCND3CDK6CDK1
SCHEMBL28799660 0.80 CDK4 (0.62) CDK4CCND1CCND3CDK6CDK1
SCHEMBL110796 0.79 MAP4K4 (0.48) MAP4K4PDE10A
SCHEMBL113839 0.79 CDK4 (0.50) CDK4CCND1CCND3CDK6CDK1

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 9 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
CN-102803225-A Imidazole derivatives and their use as modulators of cyclin dependent kinases NOVARTIS AG 2012-11-28 CN 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 13/4885CCND1 30/4885CCND3 7/4885

“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.