SCHEMBL110212

SCHEMBL110212

CN(C)C1CCN(c2ccc3nc(C(=O)c4ccnc(-n5cnc6ccncc65)c4)[nH]c3c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 10/20 0.67
CDK6 Q00534 7/20 0.67
CCND1 P24385 6/20 0.67
CCND3 P30281 5/20 0.67
CDK1 P06493 3/20 0.67
CCNB1 P14635 3/20 0.67
CDK2 P24941 4/20 0.61
CCNA2 P20248 3/20 0.61
CCNA1 P78396 3/20 0.61
CCNE1 P24864 1/20 0.41
HSF1 Q00613 1/20 0.41
WNT1 P04628 3/20 0.38
GSK3B P49841 3/20 0.38
DYRK1A Q13627 3/20 0.38
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35
KDR P35968 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
USP30 Q70CQ3 1/20 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
SCHEMBL110865 0.94 CDK4 (0.67) CDK4CDK6CCND1CCND3CDK1
SCHEMBL112265 0.91 CDK4 (0.65) CDK4CDK6CCND1CCND3CDK1
SCHEMBL111163 0.87 CDK4 (0.68) CDK4CDK6CCND1CCND3CDK1
SCHEMBL113002 0.86 CDK4 (0.65) CDK4CDK6CCND1CCND3CDK1
Hydrochloric Acid SCHEMBL2143329 0.86 CDK4 (0.67) CDK4CDK6CCND1CCND3CDK1
SCHEMBL112816 0.85 CDK4 (0.66) CDK4CDK6CCND1CCND3CDK1
SCHEMBL3802852 0.84 CDK4 (0.59) CDK4CDK6CCND1CCND3CDK1
SCHEMBL3800543 0.83 CDK4 (0.50) CDK4CDK6CCND1CCND3CDK1
SCHEMBL111341 0.83 CDK4 (0.64) CDK4CDK6CCND1CCND3CDK1
SCHEMBL109679 0.82 CDK4 (0.67) CDK4CDK6CCND1CCND3CDK1

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
US-8598217-B2 Imidazole derivatives and their use as modulators of cyclin dependent kinases ASTEX THERAPEUTICS LTD. (GB) 2013-12-03 US claimed
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 US claimed
EP-2424843-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES Novartis AG (CH) 2012-03-07 EP claimed
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 13/4885CDK6 23/4885CCND1 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.