SCHEMBL7715488

SCHEMBL7715488

CN1CCN(c2ccc(Nc3ncc4c(n3)N(C3CCCC3)C(=O)C4)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA6 Q9UK32 2/20 0.64
CDK4 P11802 10/20 0.61
CCND1 P24385 9/20 0.61
CCND2 P30279 5/20 0.61
CCND3 P30281 5/20 0.61
CCNE1 P24864 4/20 0.61
CDK2 P24941 4/20 0.61
CCNE2 O96020 3/20 0.61
CCNA2 P20248 3/20 0.61
CCNA1 P78396 2/20 0.61
PKN1 Q16512 2/20 0.61
PAK4 O96013 1/20 0.61
PAK1 Q13153 1/20 0.61
CCNT1 O60563 3/20 0.61
CDK9 P50750 3/20 0.61
CDK1 P06493 3/20 0.60
FGFR1 P11362 2/20 0.60
CCNB1 P14635 2/20 0.60
FGFR4 P22455 2/20 0.60
CCNB2 O95067 1/20 0.60

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
SCHEMBL7714435 0.99 RPS6KA6 (0.63) RPS6KA6CDK4CCND1CCND2CCND3
SCHEMBL11976916 0.96 CDK4 (0.60) RPS6KA6CDK4CCND1CCND2CCND3
SCHEMBL7716124 0.90 CDK4 (0.60) RPS6KA6CDK4CCND1CCND2CCND3
SCHEMBL20418800 0.88 RPS6KA6 (0.54) RPS6KA6CDK4CCND1CCND2CCND3
SCHEMBL25046172 0.88 CDK4 (0.59) RPS6KA6CDK4CCND1CCND2CCND3
SCHEMBL3971047 0.86 RPS6KA6 (0.64) RPS6KA6CDK4CCND1CCND2CCND3
SCHEMBL12639647 0.86 CDK4 (0.57) RPS6KA6CDK4CCND1CCND2CCND3
SCHEMBL11976928 0.86 CDK4 (0.54) RPS6KA6CDK4CCND1CCND2CCND3
SCHEMBL22184448 0.83 CDK4 (0.60) RPS6KA6CDK4CCND1CCND2CCND3
SCHEMBL13616064 0.81 CDK4 (0.61) RPS6KA6CDK4CCND1CCND2CCND3

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 RPS6KA6 64/4885CDK4 1/4885CCND1 44/4885
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP RPS6KA6 370/4885CDK4 4/4885CCND1 615/4885
US-20180207163-A1 Methods and compositions for treating solid tumors and other malignancies CDK4, CDK6, MTOR RPS6KA6 49/4885CDK4 1/4885CCND1 76/4885
US-20160008367-A1 Combination Comprising a Cyclin Dependent Kinase 4 or Cyclin Dependent Kinase (CDK4/6) Inhibitor for Treating Cancer CDK4, CDK6, CDKL4 RPS6KA6 63/4885CDK4 1/4885CCND1 41/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP RPS6KA6 370/4885CDK4 4/4885CCND1 615/4885

“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.