SCHEMBL7714624

SCHEMBL7714624

Cc1cn(C2CCCC2)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.70
CCND1 P24385 12/20 0.70
CCND2 P30279 10/20 0.70
CCND3 P30281 10/20 0.70
NUAK1 O60285 3/20 0.70
MARK3 P27448 2/20 0.70
MARK2 Q7KZI7 2/20 0.70
MARK4 Q96L34 2/20 0.70
NUAK2 Q9H093 2/20 0.70
MARK1 Q9P0L2 2/20 0.70
CSF1R P07333 3/20 0.70
CDK1 P06493 4/20 0.69
SRC P12931 2/20 0.69
KDR P35968 2/20 0.69
PDGFRB P09619 2/20 0.69
CDK7 P50613 2/20 0.69
AURKA O14965 1/20 0.69
INSR P06213 1/20 0.69
PDGFRA P16234 1/20 0.69
FLT1 P17948 1/20 0.69

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
SCHEMBL7708879 0.99 CSF1R (0.71) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL7712735 0.96 WEE1 (0.66) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL11977083 0.92 CDK4 (0.69) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL11977115 0.90 CDK4 (0.70) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL7713061 0.89 CDK4 (0.71) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL11977089 0.89 CSF1R (0.59) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL7710738 0.88 CDK4 (0.70) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL7710732 0.88 CDK4 (0.74) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL7706862 0.87 CDK4 (0.73) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL20418756 0.86 CDK4 (0.57) CDK4CCND1CCND2CCND3NUAK1

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 1/4885CCND1 44/4885CCND2 47/4885
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP CDK4 4/4885CCND1 615/4885CCND2 629/4885
US-20180207163-A1 Methods and compositions for treating solid tumors and other malignancies CDK4, CDK6, MTOR CDK4 1/4885CCND1 76/4885CCND2 90/4885
US-20160008367-A1 Combination Comprising a Cyclin Dependent Kinase 4 or Cyclin Dependent Kinase (CDK4/6) Inhibitor for Treating Cancer CDK4, CDK6, CDKL4 CDK4 1/4885CCND1 41/4885CCND2 47/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP CDK4 4/4885CCND1 615/4885CCND2 629/4885

“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.