SCHEMBL112120

SCHEMBL112120

Cc1nn(C)c(C)c1-c1cc(C(=O)c2nc3ccc(N4CCCNCC4)nc3[nH]2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.55
CCND1 P24385 3/20 0.55
NMT1 P30419 10/20 0.43
CCND3 P30281 2/20 0.40
CDK6 Q00534 2/20 0.40
PRKD1 Q15139 4/20 0.37
PRKD2 Q9BZL6 4/20 0.37
PRKD3 O94806 1/20 0.37
NMT2 O60551 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
CDK1 P06493 1/20 0.35
CCNB1 P14635 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
SCHEMBL111098 0.86 CDK4 (0.40) CDK4CCND1CCND3CDK6PRKD1
SCHEMBL112177 0.85 CDK4 (0.75) CDK4CCND1CCND3CDK6HRH4
SCHEMBL113063 0.83 CDK4 (0.42) CDK4CCND1CCND3CDK6PRKD1
SCHEMBL163560 0.81 CDK4 (0.56) CDK4CCND1NMT1CCND3CDK6
SCHEMBL111484 0.80 CDK4 (0.62) CDK4CCND1NMT1CCND3CDK6
SCHEMBL111406 0.79 CDK4 (0.64) CDK4CCND1CCND3CDK6HRH4
SCHEMBL110190 0.77 CDK4 (0.57) CDK4CCND1CCND3CDK6PRKD1
SCHEMBL109900 0.76 CDK4 (0.42) CDK4CCND1
SCHEMBL28799660 0.76 CDK4 (0.62) CDK4CCND1CCND3CDK6HRH4
SCHEMBL114897 0.75 CDK4 (0.44) CDK4CCND1

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 10 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 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-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 30/4885NMT1 3169/4885

“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.