SCHEMBL4751375

SCHEMBL4751375

COc1ccc(-c2c(-c3ccccc3)oc3ncnc(OC4CCCC(O)C4)c23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
UBE2N P61088 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TNK2 Q07912 3/20 0.54
TEK Q02763 8/20 0.50
KDR P35968 6/20 0.50
AURKA O14965 2/20 0.48
CHEK1 O14757 1/20 0.46
CDK1 P06493 1/20 0.46
GSK3B P49841 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARG P37231 1/20 0.44
HIF1A Q16665 1/20 0.44
NR2E3 Q9Y5X4 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
TP53 P04637 1/20 0.42
MAPT P10636 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
SCHEMBL12607049 1.00 KDM4E (0.57) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL12607050 1.00 KDM4E (0.57) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4748283 0.94 KDM4E (0.59) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL14467289 0.92 KDM4E (0.60) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL12607051 0.92 KDM4E (0.60) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4695250 0.89 KDM4E (0.57) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL12607165 0.86 KDM4E (0.52) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL12607159 0.86 KDM4E (0.52) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4697464 0.84 KDM4E (0.56) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL12607169 0.84 KDM4E (0.51) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 US disclosed
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 US disclosed
EP-1966218-B1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AG (DE) 2010-07-14 EP disclosed
WO-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
WO-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
WO-2007079861-A1 NOVEL, CYCLIC 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-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, TK2, TPMT KDM4E 4173/4885ALDH1A1 472/4885HPGD 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.