SCHEMBL4519939

SCHEMBL4519939

CCOC(=O)COC[C@@H](C)COc1ncnc2oc(-c3ccccc3F)c(-c3ccc(OC)cc3)c12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
UBE2N P61088 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TEK Q02763 9/20 0.40
KDR P35968 6/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 3/20 0.38
CHEK1 O14757 1/20 0.38
CDK1 P06493 1/20 0.38
PTPN1 P18031 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FLT1 P17948 1/20 0.36

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
SCHEMBL14923143 1.00 AURKA (0.41) AURKAALDH1A1KDM4EHPGDUBE2N
SCHEMBL6751225 0.92 AURKA (0.41) AURKAALDH1A1KDM4EHPGDMAPT
SCHEMBL4521045 0.91 KDM4E (0.44) AURKAALDH1A1KDM4EHPGDUBE2N
SCHEMBL12409696 0.87 AURKA (0.41) AURKAALDH1A1KDM4EHPGDUBE2N
SCHEMBL12409627 0.85 MAPT (0.39) AURKAALDH1A1KDM4EHPGDUBE2N
SCHEMBL4533384 0.83 MERTK (0.37) AURKAALDH1A1KDM4EHPGDUBE2N
SCHEMBL4533435 0.81 AURKA (0.52) AURKAALDH1A1KDM4EHPGDUBE2N
SCHEMBL4527320 0.80 KDM4E (0.56) AURKAALDH1A1KDM4EHPGDUBE2N
SCHEMBL4530792 0.80 AURKA (0.34) AURKACHEK1
SCHEMBL12409621 0.80 KDR (0.47) ALDH1A1KDM4EHPGDTEKKDR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US disclosed
WO-2008131858-A2 USE OF ACYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
WO-2007079862-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 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 (1 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-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, PNPO, TPMT AURKA 2909/4885ALDH1A1 318/4885KDM4E 3800/4885

“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.