SCHEMBL7715006

SCHEMBL7715006

CN1CCN(c2ccc(Nc3ncc4ccn(C5CCCC5)c4n3)nc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 16/20 0.76
AURKA O14965 7/20 0.76
CDK1 P06493 3/20 0.76
INSR P06213 1/20 0.76
PDGFRB P09619 1/20 0.76
SRC P12931 1/20 0.76
PDGFRA P16234 1/20 0.76
FLT1 P17948 1/20 0.76
FLT4 P35916 1/20 0.76
KDR P35968 1/20 0.76
CDK7 P50613 1/20 0.76
NTRK2 Q16620 1/20 0.76
CDK6 Q00534 4/20 0.64
CCND1 P24385 7/20 0.60
CCND2 P30279 6/20 0.60
CCND3 P30281 6/20 0.60
TTK P33981 3/20 0.56
CCNA2 P20248 4/20 0.55
CDK2 P24941 4/20 0.55
CCNA1 P78396 4/20 0.55

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
SCHEMBL30297622 0.88 CDK4 (0.71) CDK4CDK1CDK6CCND1CCND2
SCHEMBL11976961 0.88 CDK4 (0.71) CDK4CDK1CDK6CCND1CCND2
SCHEMBL7712872 0.88 CDK4 (0.98) CDK4AURKACDK1INSRPDGFRB
SCHEMBL7712336 0.88 CDK4 (0.64) CDK4AURKACDK1INSRPDGFRB
SCHEMBL20418774 0.87 CDK4 (0.59) CDK4AURKACDK1INSRPDGFRB
SCHEMBL12639679 0.87 CDK4 (1.00) CDK4AURKACDK1INSRPDGFRB
SCHEMBL11976960 0.83 CDK4 (0.55) CDK4AURKACDK1INSRPDGFRB
SCHEMBL302721 0.83 CDK4 (0.65) CDK4AURKACDK1INSRPDGFRB
SCHEMBL11977076 0.82 CDK4 (0.55) CDK4AURKACDK1INSRPDGFRB
SCHEMBL29507488 0.80 CDK4 (0.81) CDK4CCND1CCND2CCND3CCNA2

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
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-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-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
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 CDK4 1/4885AURKA 70/4885CDK1 8/4885
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP CDK4 4/4885AURKA 622/4885CDK1 44/4885
US-20180207163-A1 Methods and compositions for treating solid tumors and other malignancies CDK4, CDK6, MTOR CDK4 1/4885AURKA 117/4885CDK1 4/4885
US-20160008367-A1 Combination Comprising a Cyclin Dependent Kinase 4 or Cyclin Dependent Kinase (CDK4/6) Inhibitor for Treating Cancer CDK4, CDK6, CDKL4 CDK4 1/4885AURKA 68/4885CDK1 7/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP CDK4 4/4885AURKA 622/4885CDK1 44/4885

“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.