SCHEMBL2128517

SCHEMBL2128517

COc1ccc(F)c(F)c1-c1cc(C(=O)c2nc3cc(N4CCC(N(C)C)CC4)ccc3[nH]2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.59
CCND1 P24385 6/20 0.59
CCND3 P30281 5/20 0.57
CDK6 Q00534 5/20 0.57
CDK1 P06493 3/20 0.57
CCNB1 P14635 3/20 0.57
CCNA2 P20248 3/20 0.54
CDK2 P24941 3/20 0.54
CCNA1 P78396 3/20 0.54
PLK1 P53350 5/20 0.39
ACVR1 Q04771 1/20 0.37
MAP4K1 Q92918 2/20 0.36
EGFR P00533 2/20 0.36
ALK Q9UM73 1/20 0.35
BRAF P15056 1/20 0.35
PDE10A Q9Y233 1/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
ATR Q13535 1/20 0.34

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
SCHEMBL113839 0.85 CDK4 (0.50) CDK4CCND1CCND3CDK6CDK1
SCHEMBL112357 0.85 CDK4 (0.68) CDK4CCND1CCND3CDK6CDK1
SCHEMBL111653 0.81 CDK4 (0.66) CDK4CCND1CCND3CDK6CDK1
SCHEMBL112592 0.80 CDK4 (0.63) CDK4CCND1CCND3CDK6CDK1
SCHEMBL112997 0.80 CDK4 (0.36) CDK4CCND1CCND3CDK6CDK1
SCHEMBL112578 0.78 CDK4 (0.74) CDK4CCND1CCND3CDK6CDK1
SCHEMBL3721802 0.76 CDK4 (0.76) CDK4CCND1CCND3CDK6CDK1
SCHEMBL111812 0.76 CDK4 (0.89) CDK4CCND1CCND3CDK6CDK1
Hydrochloric Acid SCHEMBL175288 0.76 CDK4 (0.87) CDK4CCND1CCND3CDK6CDK1
SCHEMBL111810 0.75 CDK4 (0.83) 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 7 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 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
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
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.