SCHEMBL4533435

SCHEMBL4533435

CCOC(=O)COC[C@@H](C)COc1ncnc2oc(-c3ccccc3)c(-c3ccc(CC)cc3)c12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 0.52
EGFR P00533 4/20 0.43
CHEK1 O14757 2/20 0.41
MERTK Q12866 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
UBE2N P61088 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AURKB Q96GD4 1/20 0.39

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
SCHEMBL4519987 0.91 CHEK1 (0.46) AURKAEGFRCHEK1MERTKKDM4E
SCHEMBL4533456 0.91 CHEK1 (0.46) AURKAEGFRCHEK1MERTKKDM4E
SCHEMBL12409703 0.91 AURKA (0.46) AURKAEGFRCHEK1MERTKKDM4E
SCHEMBL4527173 0.90 AURKA (0.43) AURKAEGFRCHEK1MERTKKDM4E
SCHEMBL6751225 0.90 AURKA (0.41) AURKAEGFRCHEK1MERTKKDM4E
SCHEMBL14463861 0.87 AURKA (0.51) AURKAEGFRCHEK1KDM4EALDH1A1
SCHEMBL12409624 0.85 AURKA (0.47) AURKAEGFRCHEK1KDM4EALDH1A1
SCHEMBL4748527 0.85 AURKA (0.46) AURKAEGFRCHEK1MERTKKDM4E
SCHEMBL4698505 0.85 AURKA (0.46) AURKAEGFRCHEK1MERTKKDM4E
SCHEMBL4699368 0.85 AURKA (0.46) AURKAEGFRCHEK1MERTKKDM4E

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 7 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

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 2909/4885EGFR 4423/4885CHEK1 969/4885

“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.