SCHEMBL110043

SCHEMBL110043

O=C(c1ccnc(-c2cncc3ccccc23)c1)c1nc2ccc(N3CCC(N4CCCCC4)CC3)nc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

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 0.58
CCNB1 P14635 3/20 0.58
PARP1 P09874 2/20 0.40
HRH3 Q9Y5N1 4/20 0.39
CYP2C9 P11712 3/20 0.37
SMYD2 Q9NRG4 1/20 0.36
KCNH2 Q12809 1/20 0.35
FGFR1 P11362 2/20 0.34
FLT1 P17948 2/20 0.34
MEN1 O00255 1/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
RECQL P46063 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
SCHEMBL114117 0.87 CDK4 (0.78) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL2142259 0.87 CDK4 (0.59) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL10268248 0.86 CDK4 (0.62) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL15602984 0.86 CDK4 (0.60) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL2143706 0.86 CDK4 (0.60) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL2142033 0.86 CDK4 (0.60) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL110190 0.85 CDK4 (0.57) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL160571 0.81 CDK4 (0.55) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL110934 0.80 CDK4 (0.53) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL2142511 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 13 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-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
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
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.