SCHEMBL12409696

SCHEMBL12409696

CCOC(=O)COC[C@@H](C)COc1ncnc2oc(-c3ccccn3)c(-c3ccc(OC)cc3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.41
TEK Q02763 8/20 0.41
KDR P35968 5/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
UBE2N P61088 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
CHEK1 O14757 1/20 0.39
CDK1 P06493 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GSK3B P49841 1/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EGFR P00533 1/20 0.35
HIF1A Q16665 2/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL12409722 0.90 KDM4E (0.45) AURKATEKKDRKDM4EALDH1A1
SCHEMBL4519939 0.87 AURKA (0.41) AURKATEKKDRKDM4EALDH1A1
SCHEMBL14923143 0.87 AURKA (0.41) AURKATEKKDRKDM4EALDH1A1
SCHEMBL12409627 0.85 MAPT (0.39) AURKATEKKDRKDM4EALDH1A1
SCHEMBL12409724 0.82 CHEK1 (0.37) AURKATEKKDRKDM4EALDH1A1
SCHEMBL12409701 0.82 AURKA (0.34) AURKATEKKDRSMN1; SMN2MAPT
SCHEMBL4533435 0.81 AURKA (0.52) AURKAKDM4EALDH1A1HPGDUBE2N
SCHEMBL4527320 0.81 KDM4E (0.56) AURKATEKKDRKDM4EALDH1A1
SCHEMBL4520006 0.80 KDM4E (0.51) AURKATEKKDRKDM4EALDH1A1
SCHEMBL12409729 0.79 KDM4E (0.44) AURKATEKKDRKDM4EALDH1A1

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 2987/4885TEK 374/4885KDR 1007/4885

“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.