SCHEMBL7709789

SCHEMBL7709789

c1cc(N2CCNCC2)ccc1Nc1ncc2ccn(C3CCCC3)c2n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.77
AURKA O14965 5/20 0.77
INSR P06213 1/20 0.76
CDK1 P06493 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
CCND1 P24385 10/20 0.70
CCNA2 P20248 8/20 0.70
CDK2 P24941 8/20 0.70
FGFR1 P11362 8/20 0.70
FGFR2 P21802 8/20 0.70
FGFR4 P22455 8/20 0.70
FGFR3 P22607 8/20 0.70
CCND2 P30279 4/20 0.70

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
SCHEMBL11977049 0.99 CDK4 (0.79) CDK4AURKAINSRCDK1PDGFRB
SCHEMBL11977066 0.99 CDK4 (0.79) CDK4AURKAINSRCDK1PDGFRB
SCHEMBL11977052 0.92 CDK4 (0.74) CDK4AURKAINSRCDK1PDGFRB
SCHEMBL11977057 0.91 CDK4 (0.66) CDK4AURKAINSRCDK1PDGFRB
SCHEMBL11977063 0.91 CDK4 (0.64) CDK4AURKAINSRCDK1PDGFRB
SCHEMBL11977060 0.89 CDK4 (0.65) CDK4AURKAINSRCDK1PDGFRB
SCHEMBL11977064 0.89 CDK4 (0.63) CDK4AURKAINSRCDK1PDGFRB
SCHEMBL11976961 0.88 CDK4 (0.71) CDK4CDK1CCND1CCNA2CDK2
SCHEMBL30297622 0.88 CDK4 (0.71) CDK4CDK1CCND1CCNA2CDK2
SCHEMBL7712872 0.87 CDK4 (0.98) CDK4AURKAINSRCDK1PDGFRB

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 70/4885INSR 3731/4885
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP CDK4 4/4885AURKA 622/4885INSR 3831/4885
US-20180207163-A1 Methods and compositions for treating solid tumors and other malignancies CDK4, CDK6, MTOR CDK4 1/4885AURKA 117/4885INSR 3556/4885
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 68/4885INSR 3748/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP CDK4 4/4885AURKA 622/4885INSR 3831/4885

“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.