SCHEMBL7708879

SCHEMBL7708879

Cc1cn(C2CCCCC2)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.71
CDK4 P11802 13/20 0.71
CDK1 P06493 3/20 0.71
AURKA O14965 3/20 0.71
SRC P12931 2/20 0.71
KDR P35968 2/20 0.71
INSR P06213 1/20 0.71
PDGFRB P09619 1/20 0.71
PDGFRA P16234 1/20 0.71
FLT1 P17948 1/20 0.71
FLT4 P35916 1/20 0.71
CDK7 P50613 1/20 0.71
NTRK2 Q16620 1/20 0.71
CCND1 P24385 10/20 0.69
CCND2 P30279 9/20 0.69
CCND3 P30281 9/20 0.69
NUAK1 O60285 2/20 0.69
MARK3 P27448 1/20 0.69
MARK2 Q7KZI7 1/20 0.69
MARK4 Q96L34 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
SCHEMBL7714624 0.99 CDK4 (0.70) CSF1RCDK4CDK1AURKASRC
SCHEMBL7712735 0.95 WEE1 (0.66) CSF1RCDK4CDK1AURKASRC
SCHEMBL11977083 0.93 CDK4 (0.69) CSF1RCDK4CDK1AURKASRC
SCHEMBL7710738 0.89 CDK4 (0.70) CDK4CDK1PDGFRBPDGFRACCND1
SCHEMBL11977115 0.89 CDK4 (0.70) CSF1RCDK4CDK1AURKASRC
SCHEMBL7713061 0.88 CDK4 (0.71) CDK4CDK1PDGFRBPDGFRACCND1
SCHEMBL7706862 0.88 CDK4 (0.73) CSF1RCDK4CDK1AURKASRC
SCHEMBL11977089 0.88 CSF1R (0.59) CSF1RCDK4CDK1AURKASRC
SCHEMBL20418756 0.87 CDK4 (0.57) CSF1RCDK4CDK1AURKASRC
SCHEMBL7710732 0.87 CDK4 (0.74) CSF1RCDK4CDK1AURKASRC

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 CSF1R 2421/4885CDK4 1/4885CDK1 8/4885
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP CSF1R 4378/4885CDK4 4/4885CDK1 44/4885
US-20180207163-A1 Methods and compositions for treating solid tumors and other malignancies CDK4, CDK6, MTOR CSF1R 3135/4885CDK4 1/4885CDK1 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 CSF1R 2341/4885CDK4 1/4885CDK1 7/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP CSF1R 4378/4885CDK4 4/4885CDK1 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.