SCHEMBL7712735

SCHEMBL7712735

Cc1cn(C2CC2)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 2/20 0.66
CSF1R P07333 3/20 0.65
CDK4 P11802 10/20 0.65
CCND3 P30281 8/20 0.65
CCND1 P24385 7/20 0.65
CCND2 P30279 7/20 0.65
NUAK1 O60285 1/20 0.65
MARK3 P27448 1/20 0.65
MARK2 Q7KZI7 1/20 0.65
MARK4 Q96L34 1/20 0.65
NUAK2 Q9H093 1/20 0.65
MARK1 Q9P0L2 1/20 0.65
AURKA O14965 3/20 0.63
CDK1 P06493 3/20 0.63
SRC P12931 2/20 0.63
KDR P35968 2/20 0.63
INSR P06213 1/20 0.63
PDGFRB P09619 1/20 0.63
PDGFRA P16234 1/20 0.63
FLT1 P17948 1/20 0.63

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 0.96 CDK4 (0.70) WEE1CSF1RCDK4CCND3CCND1
SCHEMBL7708879 0.95 CSF1R (0.71) WEE1CSF1RCDK4CCND3CCND1
SCHEMBL7713224 0.89 CDK4 (0.65) CDK4CCND3CCND1CCND2NUAK1
SCHEMBL11977083 0.88 CDK4 (0.69) CSF1RCDK4CCND3CCND1CCND2
SCHEMBL7713223 0.87 CDK4 (0.68) WEE1CSF1RCDK4CCND3CCND1
SCHEMBL11977115 0.86 CDK4 (0.70) CSF1RCDK4CCND3CCND1CCND2
SCHEMBL7713061 0.85 CDK4 (0.71) CDK4CCND3CCND1CCND2NUAK1
SCHEMBL11977089 0.84 CSF1R (0.59) WEE1CSF1RCDK4CCND3CCND1
SCHEMBL7710738 0.84 CDK4 (0.70) CDK4CCND3CCND1CCND2NUAK1
SCHEMBL7710732 0.84 CDK4 (0.74) CSF1RCDK4CCND3CCND1CCND2

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 WEE1 87/4885CSF1R 2421/4885CDK4 1/4885
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP WEE1 318/4885CSF1R 4378/4885CDK4 4/4885
US-20180207163-A1 Methods and compositions for treating solid tumors and other malignancies CDK4, CDK6, MTOR WEE1 66/4885CSF1R 3135/4885CDK4 1/4885
US-20160008367-A1 Combination Comprising a Cyclin Dependent Kinase 4 or Cyclin Dependent Kinase (CDK4/6) Inhibitor for Treating Cancer CDK4, CDK6, CDKL4 WEE1 100/4885CSF1R 2341/4885CDK4 1/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP WEE1 318/4885CSF1R 4378/4885CDK4 4/4885

“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.