SCHEMBL7713641

SCHEMBL7713641

CCC(CC)n1c(=O)[nH]c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 4/20 0.58
CCNE1 P24864 4/20 0.58
CDK2 P24941 4/20 0.58
CDK4 P11802 8/20 0.57
CCND1 P24385 8/20 0.57
CCND2 P30279 8/20 0.57
CCND3 P30281 8/20 0.57
CCNA2 P20248 3/20 0.57
CCNA1 P78396 3/20 0.57
CCNB2 O95067 2/20 0.57
CDK1 P06493 2/20 0.57
FGFR1 P11362 2/20 0.57
CCNB1 P14635 2/20 0.57
FGFR2 P21802 2/20 0.57
FGFR4 P22455 2/20 0.57
FGFR3 P22607 2/20 0.57
CCNB3 Q8WWL7 2/20 0.57
EGFR P00533 7/20 0.52
FLT3 P36888 3/20 0.52
KDR P35968 3/20 0.51

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
SCHEMBL11984282 0.90 CDK4 (0.57) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL11984080 0.90 CDK4 (0.59) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4193971 0.89 ALK (0.55) CCNE1CDK2CDK4CCND1CCND2
SCHEMBL11984249 0.89 KCNH2 (0.51) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL11984272 0.88 SYK (0.52) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5263457 0.82 CDK4 (0.80) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL1783576 0.82 CDK4 (0.58) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL11984303 0.79 JAK2 (0.53) CCNE1CDK2CDK4CCND1CCND2
SCHEMBL12639242 0.79 CDK2 (0.83) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL11984284 0.79 CCNT1 (0.53) CCNE1CDK2CDK4CCND1CCND3

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
US-20180207163-A1 Methods and compositions for treating solid tumors and other malignancies NOVARTIS AG (CH) 2018-07-26 US disclosed
US-20160008367-A1 Combination Comprising a Cyclin Dependent Kinase 4 or Cyclin Dependent Kinase (CDK4/6) Inhibitor for Treating Cancer NOVARTIS AG (CH) 2016-01-14 US disclosed
US-20130035336-A1 COMBINATION COMPRISING A CYCLIN DEPENDENT KINASE 4 OR CYCLIN DEPENDENT KINASE (CDK4/6) INHIBITOR FOR TREATING CANCER NOVARTIS AG (CH) 2013-02-07 US disclosed
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
WO-2011130232-A1 COMBINATION COMPRISING A CYCLIN DEPENDENT KINASE 4 OR CYCLIN DEPENDENT KINASE (CDK4/6) INHIBITOR AND AN MTOR INHIBITOR FOR TREATING CANCER NOVARTIS AG (CH) 2011-10-20 WO disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 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 (5 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-20130035336-A1 COMBINATION COMPRISING A CYCLIN DEPENDENT KINASE 4 OR CYCLIN DEPENDENT KINASE (CDK4/6) INHIBITOR FOR TREATING CANCER CDK4, CDK6, CDK8 CCNE2 50/4885CCNE1 42/4885CDK2 6/4885
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP CCNE2 906/4885CCNE1 623/4885CDK2 5/4885
US-20180207163-A1 Methods and compositions for treating solid tumors and other malignancies CDK4, CDK6, MTOR CCNE2 119/4885CCNE1 57/4885CDK2 7/4885
US-20160008367-A1 Combination Comprising a Cyclin Dependent Kinase 4 or Cyclin Dependent Kinase (CDK4/6) Inhibitor for Treating Cancer CDK4, CDK6, CDKL4 CCNE2 53/4885CCNE1 45/4885CDK2 5/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP CCNE2 906/4885CCNE1 623/4885CDK2 5/4885

“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.