SCHEMBL110701

SCHEMBL110701

CN(C)CCOc1ccc2[nH]c(C(=O)c3ccnc(-c4cncc5ccccc45)c3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.56
CCND1 P24385 4/20 0.56
CCND3 P30281 4/20 0.56
CDK6 Q00534 4/20 0.56
CCNA2 P20248 3/20 0.56
CDK2 P24941 3/20 0.56
CCNA1 P78396 3/20 0.56
CDK1 P06493 3/20 0.56
CCNB1 P14635 3/20 0.56
PDGFRB P09619 2/20 0.44
PDGFRA P16234 2/20 0.44
PDE10A Q9Y233 8/20 0.41
PIM1 P11309 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RET P07949 1/20 0.38
TNKS O95271 1/20 0.37
FLT3 P36888 1/20 0.37
ACHE P22303 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
SCHEMBL111344 0.84 CDK4 (0.51) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL115091 0.80 CDK4 (0.65) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL112909 0.77 CDK4 (0.59) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL111812 0.77 CDK4 (0.89) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL175996 0.76 CDK4 (0.69) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL175720 0.76 CDK4 (0.57) CDK4CCND1CCND3CDK6CCNA2
Hydrochloric Acid SCHEMBL175288 0.76 CDK4 (0.87) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL2142391 0.76 CDK4 (0.64) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL175698 0.75 CDK4 (0.68) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL176127 0.75 CDK4 (0.67) 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 12 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
WO-2010125402-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2010-11-04 WO 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
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.