SCHEMBL12409703

SCHEMBL12409703

CCOC(=O)COC[C@@H](C)COc1ncnc2oc(-c3ccccc3)c(-c3ccc(CC)cn3)c12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.46
EGFR P00533 4/20 0.39
AURKB Q96GD4 2/20 0.36
CHEK1 O14757 1/20 0.36
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
MERTK Q12866 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL12409723 0.92 CHEK1 (0.40) AURKAEGFRAURKBCHEK1MERTK
SCHEMBL4533435 0.91 AURKA (0.52) AURKAEGFRAURKBCHEK1MERTK
SCHEMBL13984087 0.88 AURKA (0.46) AURKAEGFRAURKBCHEK1CCNB2
SCHEMBL12409624 0.83 AURKA (0.47) AURKAEGFRCHEK1CCNB2CDK1
SCHEMBL4519987 0.82 CHEK1 (0.46) AURKAEGFRAURKBCHEK1MERTK
SCHEMBL4533456 0.82 CHEK1 (0.46) AURKAEGFRAURKBCHEK1MERTK
SCHEMBL4527173 0.81 AURKA (0.43) AURKAEGFRAURKBCHEK1MERTK
SCHEMBL6751225 0.81 AURKA (0.41) AURKAEGFRAURKBCHEK1MERTK
SCHEMBL12409728 0.80 AURKA (0.40) AURKAEGFRAURKBCHEK1MERTK
SCHEMBL13984090 0.79 CHEK1 (0.39) AURKAEGFRAURKBCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 US disclosed
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 US 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-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF DPYD, TPMT, TYMP AURKA 2987/4885EGFR 4267/4885AURKB 1533/4885

“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.