SCHEMBL4540044

SCHEMBL4540044

COc1ccc(-c2c(-c3ccccc3)oc3ncnc(OCC(C)OOCCC(=O)O)c23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
UBE2N P61088 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TEK Q02763 8/20 0.49
KDR P35968 7/20 0.49
AURKA O14965 4/20 0.46
CHEK1 O14757 2/20 0.45
CDK1 P06493 1/20 0.45
TNK2 Q07912 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
EGFR P00533 2/20 0.43
JAK2 O60674 1/20 0.42
LCK P06239 1/20 0.42
SRC P12931 1/20 0.42
ZAP70 P43403 1/20 0.42
JAK3 P52333 1/20 0.42
GSK3B P49841 1/20 0.42

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
SCHEMBL6750820 0.91 KDM4E (0.54) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6750796 0.91 KDM4E (0.54) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4535586 0.91 KDM4E (0.54) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4530225 0.85 KDM4E (0.53) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6751199 0.85 KDM4E (0.53) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6750826 0.85 KDM4E (0.53) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6750813 0.85 KDM4E (0.53) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4527275 0.83 KDM4E (0.59) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4519993 0.83 KDM4E (0.54) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4533563 0.83 KDM4E (0.54) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966217-B1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-05-08 EP 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

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 KDM4E 3800/4885ALDH1A1 318/4885HPGD 75/4885

“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.