SCHEMBL1785934

SCHEMBL1785934

COc1ccc(-c2c(-c3ccccc3)oc3ncnc(OCC4(COCC(=O)OC(C)(C)C)CCC4)c23)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
UBE2N P61088 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TEK Q02763 8/20 0.45
KDR P35968 6/20 0.45
TNK2 Q07912 2/20 0.45
MERTK Q12866 2/20 0.43
AURKA O14965 2/20 0.43
CHEK1 O14757 1/20 0.42
CDK1 P06493 1/20 0.42
LCK P06239 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GSK3B P49841 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
EGFR P00533 1/20 0.38

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
SCHEMBL1784291 0.91 KDM4E (0.53) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4527059 0.85 KDM4E (0.52) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4520006 0.84 KDM4E (0.51) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6751211 0.83 KDM4E (0.50) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL1787286 0.83 KDM4E (0.58) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4698278 0.83 KDM4E (0.58) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4521418 0.81 KDM4E (0.49) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4530865 0.80 KDM4E (0.49) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4535736 0.80 KDM4E (0.49) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL1787689 0.79 TNK2 (0.48) 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 9 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-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
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-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.