SCHEMBL2142511

SCHEMBL2142511

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1CCN(c2ccc3nc(C(=O)c4ccnc(-c5cncc6ccccc56)c4)[nH]c3n2)C1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.60
CCND1 P24385 5/20 0.60
CCND3 P30281 4/20 0.60
CDK6 Q00534 4/20 0.60
CCNA2 P20248 3/20 0.60
CDK2 P24941 3/20 0.60
CCNA1 P78396 3/20 0.60
CDK1 P06493 3/20 0.60
CCNB1 P14635 3/20 0.60
PDE10A Q9Y233 6/20 0.39
AAK1 Q2M2I8 2/20 0.35
PIK3CD O00329 1/20 0.34
SYK P43405 2/20 0.32
CYP11B2 P19099 1/20 0.32
KLKB1 P03952 2/20 0.32
KLK1 P06870 2/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL114117 0.86 CDK4 (0.78) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL10268248 0.85 CDK4 (0.62) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL160571 0.84 CDK4 (0.55) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL2143706 0.84 CDK4 (0.60) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL2142033 0.84 CDK4 (0.60) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL15602984 0.84 CDK4 (0.60) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL15602945 0.83 CDK4 (0.54) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL110934 0.82 CDK4 (0.53) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL2142259 0.80 CDK4 (0.59) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL110043 0.80 CDK4 (0.60) CDK4CCND1CCND3CDK6CCNA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.